N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine

C15H13N — CID 164823414

IUPACN-tert-butylundeca-2,4,6,8,10-pentayn-1-amine
SMILESC#CC#CC#CC#CC#CCNC(C)(C)C
InChIInChI=1S/C15H13N/c1-5-6-7-8-9-10-11-12-13-14-16-15(2,3)4/h1,16H,14H2,2-4H3
InChIKeyCAFUNIOITXLLHT-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.02
Rot. Bonds1

About N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine

N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine (PubChem CID 164823414) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine.

Molecular Properties

Compound NameN-tert-butylundeca-2,4,6,8,10-pentayn-1-amine
PubChem CID164823414
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC NameN-tert-butylundeca-2,4,6,8,10-pentayn-1-amine
SMILESC#CC#CC#CC#CC#CCNC(C)(C)C
InChIInChI=1S/C15H13N/c1-5-6-7-8-9-10-11-12-13-14-16-15(2,3)4/h1,16H,14H2,2-4H3
InChIKeyCAFUNIOITXLLHT-UHFFFAOYSA-N
XLogP1.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N,N'-ditert-butylhexa-2,4-diyne-1,6-diamine
CID 134995406
2,2-dimethyldeca-5,7,9-triyn-3-one
CID 58109872
hexatetraconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45-tricosayne
CID 23590172
nonacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189-pentanonacontayne
CID 123701595
nonaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89-pentatetracontayne
CID 58354334
19-methoxynonadeca-1,3,5,7,9,11,13,15,17-nonayne
CID 122578573
octadeca-1,3,5,7,10,12,14,16-octayne
CID 59330718
7,9,9-trimethyldeca-1,3,5-triyne
CID 58641006
trioctacontahecta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181-hennonacontayne
CID 123903033
pentatriacontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233-heptadecahectayne
CID 156625954
tripentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-hexacosayne
CID 20755377
pentahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63-dotriacontayne
CID 21043403

Frequently Asked Questions

What is the IUPAC name of N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine?
The IUPAC name of N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine (CID 164823414) is N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine.
What is the SMILES notation for N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine?
The canonical SMILES for N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine is C#CC#CC#CC#CC#CCNC(C)(C)C.
What is the InChIKey of N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine?
The InChIKey is CAFUNIOITXLLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-5-6-7-8-9-10-11-12-13-14-16-15(2,3)4/h1,16H,14H2,2-4H3.
What are the key properties of N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine?
N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine has a molecular weight of 207.28 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylundeca-2,4,6,8,10-pentayn-1-amine is sourced from PubChem (CID 164823414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).