N-hex-1-yn-3-ylheptan-2-amine

C13H25N — CID 106226899

IUPACN-hex-1-yn-3-ylheptan-2-amine
SMILESC#CC(CCC)NC(C)CCCCC
InChIInChI=1S/C13H25N/c1-5-8-9-11-12(4)14-13(7-3)10-6-2/h3,12-14H,5-6,8-11H2,1-2,4H3
InChIKeyHDXONTDPQXRIAF-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.35
Rot. Bonds8

About N-hex-1-yn-3-ylheptan-2-amine

N-hex-1-yn-3-ylheptan-2-amine (PubChem CID 106226899) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-hex-1-yn-3-ylheptan-2-amine.

Molecular Properties

Compound NameN-hex-1-yn-3-ylheptan-2-amine
PubChem CID106226899
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-hex-1-yn-3-ylheptan-2-amine
SMILESC#CC(CCC)NC(C)CCCCC
InChIInChI=1S/C13H25N/c1-5-8-9-11-12(4)14-13(7-3)10-6-2/h3,12-14H,5-6,8-11H2,1-2,4H3
InChIKeyHDXONTDPQXRIAF-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-2-ylhex-1-yn-3-amine
CID 106226440
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
N-tetradecan-2-yltetradecan-2-amine
CID 20841578
N-heptan-4-ylheptan-2-amine
CID 43572732
(2R)-N-prop-2-ynylheptan-2-amine;hydrochloride
CID 18667076
N-hex-1-yn-3-yldecan-1-amine
CID 106226428
N-hex-1-yn-3-yloctan-1-amine
CID 106225987
(2S)-N-butan-2-ylheptan-2-amine
CID 163467139
1-(heptan-2-ylamino)butan-1-ol
CID 155661002
(3R)-3-methyloct-1-yne
CID 59216928

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-ylheptan-2-amine?
The IUPAC name of N-hex-1-yn-3-ylheptan-2-amine (CID 106226899) is N-hex-1-yn-3-ylheptan-2-amine.
What is the SMILES notation for N-hex-1-yn-3-ylheptan-2-amine?
The canonical SMILES for N-hex-1-yn-3-ylheptan-2-amine is C#CC(CCC)NC(C)CCCCC.
What is the InChIKey of N-hex-1-yn-3-ylheptan-2-amine?
The InChIKey is HDXONTDPQXRIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-8-9-11-12(4)14-13(7-3)10-6-2/h3,12-14H,5-6,8-11H2,1-2,4H3.
What are the key properties of N-hex-1-yn-3-ylheptan-2-amine?
N-hex-1-yn-3-ylheptan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-ylheptan-2-amine is sourced from PubChem (CID 106226899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).