N-methyldec-2-yn-5-amine

C11H21N — CID 115819919

IUPACN-methyldec-2-yn-5-amine
SMILESCC#CCC(CCCCC)NC
InChIInChI=1S/C11H21N/c1-4-6-8-10-11(12-3)9-7-5-2/h11-12H,4,6,8-10H2,1-3H3
InChIKeyWMOPXDULSANZJS-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.57
Rot. Bonds6

About N-methyldec-2-yn-5-amine

N-methyldec-2-yn-5-amine (PubChem CID 115819919) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is N-methyldec-2-yn-5-amine.

Molecular Properties

Compound NameN-methyldec-2-yn-5-amine
PubChem CID115819919
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC NameN-methyldec-2-yn-5-amine
SMILESCC#CCC(CCCCC)NC
InChIInChI=1S/C11H21N/c1-4-6-8-10-11(12-3)9-7-5-2/h11-12H,4,6,8-10H2,1-3H3
InChIKeyWMOPXDULSANZJS-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-methylhept-5-yn-3-amine
CID 62309993
5-methyldec-2-yne
CID 123137081
N-methylheptadecan-9-amine;hydrochloride
CID 175813537
N-methyloctadecan-3-amine
CID 150460863
N-methylundecan-4-amine
CID 60996531
N-methyldecan-3-amine
CID 60996977
5-propyldec-2-yne
CID 173381236
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
2-(methylamino)hexadecan-1-ol
CID 118696061
N,2-dimethyloct-6-yn-4-amine
CID 62312179
N,3-dimethylundecan-5-amine
CID 115833416
N-propyldodec-2-yn-6-amine
CID 105037370

Frequently Asked Questions

What is the IUPAC name of N-methyldec-2-yn-5-amine?
The IUPAC name of N-methyldec-2-yn-5-amine (CID 115819919) is N-methyldec-2-yn-5-amine.
What is the SMILES notation for N-methyldec-2-yn-5-amine?
The canonical SMILES for N-methyldec-2-yn-5-amine is CC#CCC(CCCCC)NC.
What is the InChIKey of N-methyldec-2-yn-5-amine?
The InChIKey is WMOPXDULSANZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-4-6-8-10-11(12-3)9-7-5-2/h11-12H,4,6,8-10H2,1-3H3.
What are the key properties of N-methyldec-2-yn-5-amine?
N-methyldec-2-yn-5-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-methyldec-2-yn-5-amine is sourced from PubChem (CID 115819919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).