N-but-3-ynylhexan-3-amine

C10H19N — CID 63656863

IUPACN-but-3-ynylhexan-3-amine
SMILESC#CCCNC(CC)CCC
InChIInChI=1S/C10H19N/c1-4-7-9-11-10(6-3)8-5-2/h1,10-11H,5-9H2,2-3H3
InChIKeyRMXDNHVSVPIICJ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.18
Rot. Bonds6

About N-but-3-ynylhexan-3-amine

N-but-3-ynylhexan-3-amine (PubChem CID 63656863) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-but-3-ynylhexan-3-amine.

Molecular Properties

Compound NameN-but-3-ynylhexan-3-amine
PubChem CID63656863
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-but-3-ynylhexan-3-amine
SMILESC#CCCNC(CC)CCC
InChIInChI=1S/C10H19N/c1-4-7-9-11-10(6-3)8-5-2/h1,10-11H,5-9H2,2-3H3
InChIKeyRMXDNHVSVPIICJ-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynylhexan-3-amine?
The IUPAC name of N-but-3-ynylhexan-3-amine (CID 63656863) is N-but-3-ynylhexan-3-amine.
What is the SMILES notation for N-but-3-ynylhexan-3-amine?
The canonical SMILES for N-but-3-ynylhexan-3-amine is C#CCCNC(CC)CCC.
What is the InChIKey of N-but-3-ynylhexan-3-amine?
The InChIKey is RMXDNHVSVPIICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-7-9-11-10(6-3)8-5-2/h1,10-11H,5-9H2,2-3H3.
What are the key properties of N-but-3-ynylhexan-3-amine?
N-but-3-ynylhexan-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynylhexan-3-amine is sourced from PubChem (CID 63656863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).