N-tert-butylocta-3,7-dien-1-amine

C12H23N — CID 79599295

IUPACN-tert-butylocta-3,7-dien-1-amine
SMILESC=CCCC=CCCNC(C)(C)C
InChIInChI=1S/C12H23N/c1-5-6-7-8-9-10-11-13-12(2,3)4/h5,8-9,13H,1,6-7,10-11H2,2-4H3
InChIKeyHHYMAUHPTBCTPP-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.29
Rot. Bonds6

About N-tert-butylocta-3,7-dien-1-amine

N-tert-butylocta-3,7-dien-1-amine (PubChem CID 79599295) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-tert-butylocta-3,7-dien-1-amine.

Molecular Properties

Compound NameN-tert-butylocta-3,7-dien-1-amine
PubChem CID79599295
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-tert-butylocta-3,7-dien-1-amine
SMILESC=CCCC=CCCNC(C)(C)C
InChIInChI=1S/C12H23N/c1-5-6-7-8-9-10-11-13-12(2,3)4/h5,8-9,13H,1,6-7,10-11H2,2-4H3
InChIKeyHHYMAUHPTBCTPP-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butylhex-3-en-1-amine
CID 112734327
(5E)-deca-1,5,9-triene
CID 5362636
N-tert-butyl-5-methylhexa-3,5-dien-1-amine
CID 79597878
(2E)-N-tert-butylocta-2,7-dien-1-amine
CID 6002531
(E)-N-tert-butyl-8-methylnon-3-en-1-amine
CID 83162447
(E)-N-tert-butyl-6-ethylsulfonylhex-3-en-1-amine
CID 106735088
(5E,9E)-11-chloro-11-methyldodeca-1,5,9-triene
CID 88672881
(5E)-nona-1,5-diene
CID 6429608
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
3-but-3-enoxy-N-tert-butylbutan-1-amine
CID 114998637
ethene;octa-1,5-diene
CID 175164046
N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine
CID 79592735

Frequently Asked Questions

What is the IUPAC name of N-tert-butylocta-3,7-dien-1-amine?
The IUPAC name of N-tert-butylocta-3,7-dien-1-amine (CID 79599295) is N-tert-butylocta-3,7-dien-1-amine.
What is the SMILES notation for N-tert-butylocta-3,7-dien-1-amine?
The canonical SMILES for N-tert-butylocta-3,7-dien-1-amine is C=CCCC=CCCNC(C)(C)C.
What is the InChIKey of N-tert-butylocta-3,7-dien-1-amine?
The InChIKey is HHYMAUHPTBCTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-6-7-8-9-10-11-13-12(2,3)4/h5,8-9,13H,1,6-7,10-11H2,2-4H3.
What are the key properties of N-tert-butylocta-3,7-dien-1-amine?
N-tert-butylocta-3,7-dien-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylocta-3,7-dien-1-amine is sourced from PubChem (CID 79599295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).