N-benzyl-N-methylpent-3-yn-1-amine

C13H17N — CID 145321496

IUPACN-benzyl-N-methylpent-3-yn-1-amine
SMILESCC#CCCN(C)Cc1ccccc1
InChIInChI=1S/C13H17N/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-2H3
InChIKeyHVYVMSKUCQCABO-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.53
Rot. Bonds4

About N-benzyl-N-methylpent-3-yn-1-amine

N-benzyl-N-methylpent-3-yn-1-amine (PubChem CID 145321496) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is N-benzyl-N-methylpent-3-yn-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methylpent-3-yn-1-amine
PubChem CID145321496
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC NameN-benzyl-N-methylpent-3-yn-1-amine
SMILESCC#CCCN(C)Cc1ccccc1
InChIInChI=1S/C13H17N/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-2H3
InChIKeyHVYVMSKUCQCABO-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(pent-3-ynyl)amino]ethanol
CID 104748242
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CID 3014812
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CID 58570196
7-[benzyl(methyl)amino]heptanenitrile
CID 10680989
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943
magnesium;N-benzyl-N-methylpropan-1-amine;chloride
CID 88793658
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
(3R)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
CID 129383329
(3S)-1-[benzyl(methyl)amino]-4-methylpentan-3-ol
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N,N-dibenzylpropan-1-amine
CID 10840212

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylpent-3-yn-1-amine?
The IUPAC name of N-benzyl-N-methylpent-3-yn-1-amine (CID 145321496) is N-benzyl-N-methylpent-3-yn-1-amine.
What is the SMILES notation for N-benzyl-N-methylpent-3-yn-1-amine?
The canonical SMILES for N-benzyl-N-methylpent-3-yn-1-amine is CC#CCCN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methylpent-3-yn-1-amine?
The InChIKey is HVYVMSKUCQCABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-4-8-11-14(2)12-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-2H3.
What are the key properties of N-benzyl-N-methylpent-3-yn-1-amine?
N-benzyl-N-methylpent-3-yn-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylpent-3-yn-1-amine is sourced from PubChem (CID 145321496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).