N-pentan-2-ylhex-1-yn-3-amine

C11H21N — CID 106226440

IUPACN-pentan-2-ylhex-1-yn-3-amine
SMILESC#CC(CCC)NC(C)CCC
InChIInChI=1S/C11H21N/c1-5-8-10(4)12-11(7-3)9-6-2/h3,10-12H,5-6,8-9H2,1-2,4H3
InChIKeyDXYOFPWWFLFDSS-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.57
Rot. Bonds6

About N-pentan-2-ylhex-1-yn-3-amine

N-pentan-2-ylhex-1-yn-3-amine (PubChem CID 106226440) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-pentan-2-ylhex-1-yn-3-amine.

Molecular Properties

Compound NameN-pentan-2-ylhex-1-yn-3-amine
PubChem CID106226440
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-pentan-2-ylhex-1-yn-3-amine
SMILESC#CC(CCC)NC(C)CCC
InChIInChI=1S/C11H21N/c1-5-8-10(4)12-11(7-3)9-6-2/h3,10-12H,5-6,8-9H2,1-2,4H3
InChIKeyDXYOFPWWFLFDSS-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.57
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-hex-1-yn-3-ylheptan-2-amine
CID 106226899
N-(1-ethoxypropan-2-yl)hex-1-yn-3-amine
CID 107234206
N-(1-methoxypropan-2-yl)hex-1-yn-3-amine
CID 103520528
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924
2-N-hex-1-yn-3-ylbutane-1,2-diamine
CID 106228269
N-(2-methylpropyl)hex-1-yn-3-amine
CID 107234224
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]hex-1-yn-3-amine
CID 106226696
2-(hex-1-yn-3-ylamino)-N'-hydroxypropanimidamide
CID 106230925
N-[1-(3-fluorophenyl)propan-2-yl]hex-1-yn-3-amine
CID 106227001
2-(hex-1-yn-3-ylamino)butanoic acid
CID 106227356
N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine
CID 103520520
N-tert-butyl-2-(hex-1-yn-3-ylamino)propanamide
CID 103520500

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylhex-1-yn-3-amine?
The IUPAC name of N-pentan-2-ylhex-1-yn-3-amine (CID 106226440) is N-pentan-2-ylhex-1-yn-3-amine.
What is the SMILES notation for N-pentan-2-ylhex-1-yn-3-amine?
The canonical SMILES for N-pentan-2-ylhex-1-yn-3-amine is C#CC(CCC)NC(C)CCC.
What is the InChIKey of N-pentan-2-ylhex-1-yn-3-amine?
The InChIKey is DXYOFPWWFLFDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-5-8-10(4)12-11(7-3)9-6-2/h3,10-12H,5-6,8-9H2,1-2,4H3.
What are the key properties of N-pentan-2-ylhex-1-yn-3-amine?
N-pentan-2-ylhex-1-yn-3-amine has a molecular weight of 167.30 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylhex-1-yn-3-amine is sourced from PubChem (CID 106226440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).