N-tert-butyl-3-methylhex-5-yn-1-amine

C11H21N — CID 81018738

IUPACN-tert-butyl-3-methylhex-5-yn-1-amine
SMILESC#CCC(C)CCNC(C)(C)C
InChIInChI=1S/C11H21N/c1-6-7-10(2)8-9-12-11(3,4)5/h1,10,12H,7-9H2,2-5H3
InChIKeyPWYUCTCAUDFRRQ-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.42
Rot. Bonds4

About N-tert-butyl-3-methylhex-5-yn-1-amine

N-tert-butyl-3-methylhex-5-yn-1-amine (PubChem CID 81018738) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-tert-butyl-3-methylhex-5-yn-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methylhex-5-yn-1-amine
PubChem CID81018738
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-tert-butyl-3-methylhex-5-yn-1-amine
SMILESC#CCC(C)CCNC(C)(C)C
InChIInChI=1S/C11H21N/c1-6-7-10(2)8-9-12-11(3,4)5/h1,10,12H,7-9H2,2-5H3
InChIKeyPWYUCTCAUDFRRQ-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.42
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

(2-Methylbut-3-yn-2-yl)(2-methylpropyl)amine
CID 63998692
Butyl(2-methylbut-3-yn-2-yl)amine
CID 14919860
4-propyl-N-prop-2-ynylheptan-4-amine
CID 3049080
N-(2-ethyl-2-fluorobut-3-ynyl)-2,4-dimethylhex-5-yn-2-amine
CID 135255587
N-(2-fluorobutyl)-2,4-dimethylhept-5-yn-2-amine
CID 156140720
3,5,5-Trimethyl-n-(4-methylpent-1-yn-3-yl)hexan-1-amine
CID 221347
N-tert-butyl-2-fluorohex-5-yn-1-amine
CID 107446619
N-tert-butyl-3-ethyl-2-fluoropentan-1-amine
CID 107446711
N-tert-butyl-2-fluoro-3-methylpentan-1-amine
CID 107446738
N-tert-butyl-2-fluorohept-6-yn-1-amine
CID 107446793
N-tert-butyl-2-fluorohept-5-yn-1-amine
CID 107446864
N-ethyl-1-ethynylcyclobutan-1-amine
CID 165778521

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methylhex-5-yn-1-amine?
The IUPAC name of N-tert-butyl-3-methylhex-5-yn-1-amine (CID 81018738) is N-tert-butyl-3-methylhex-5-yn-1-amine.
What is the SMILES notation for N-tert-butyl-3-methylhex-5-yn-1-amine?
The canonical SMILES for N-tert-butyl-3-methylhex-5-yn-1-amine is C#CCC(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-methylhex-5-yn-1-amine?
The InChIKey is PWYUCTCAUDFRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-6-7-10(2)8-9-12-11(3,4)5/h1,10,12H,7-9H2,2-5H3.
What are the key properties of N-tert-butyl-3-methylhex-5-yn-1-amine?
N-tert-butyl-3-methylhex-5-yn-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methylhex-5-yn-1-amine is sourced from PubChem (CID 81018738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).