N-butylhex-1-yn-1-amine

C10H19N — CID 57233970

IUPACN-butylhex-1-yn-1-amine
SMILESCCCCC#CNCCCC
InChIInChI=1S/C10H19N/c1-3-5-7-8-10-11-9-6-4-2/h11H,3-7,9H2,1-2H3
InChIKeyPVDIHWCYUFZCIQ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.53
Rot. Bonds5

About N-butylhex-1-yn-1-amine

N-butylhex-1-yn-1-amine (PubChem CID 57233970) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-butylhex-1-yn-1-amine.

Molecular Properties

Compound NameN-butylhex-1-yn-1-amine
PubChem CID57233970
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-butylhex-1-yn-1-amine
SMILESCCCCC#CNCCCC
InChIInChI=1S/C10H19N/c1-3-5-7-8-10-11-9-6-4-2/h11H,3-7,9H2,1-2H3
InChIKeyPVDIHWCYUFZCIQ-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentadeca-5,10-diyne
CID 15530767
tetradeca-4,9-diyne
CID 173328648
7,8-dimethyltetradeca-5,9-diyne-7,8-diol
CID 102249526
methane;bis(oct-3-yne)
CID 159540057
(Hex-1-yn-1-yl)silane
CID 13112953
cobalt;hept-2-yne
CID 174831630
1-fluorohex-1-yne
CID 87549340
hex-1-yn-1-amine
CID 15451863
N-hex-1-ynylpropanamide
CID 118524998
methanesulfonic acid;oct-3-yn-1-ol
CID 71327437
tert-butyl 4-(pent-1-ynylamino)butanoate
CID 88530766
2-chloro-2-methyloct-3-yne
CID 10855756

Frequently Asked Questions

What is the IUPAC name of N-butylhex-1-yn-1-amine?
The IUPAC name of N-butylhex-1-yn-1-amine (CID 57233970) is N-butylhex-1-yn-1-amine.
What is the SMILES notation for N-butylhex-1-yn-1-amine?
The canonical SMILES for N-butylhex-1-yn-1-amine is CCCCC#CNCCCC.
What is the InChIKey of N-butylhex-1-yn-1-amine?
The InChIKey is PVDIHWCYUFZCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-3-5-7-8-10-11-9-6-4-2/h11H,3-7,9H2,1-2H3.
What are the key properties of N-butylhex-1-yn-1-amine?
N-butylhex-1-yn-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylhex-1-yn-1-amine is sourced from PubChem (CID 57233970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).