N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine

C10H19N — CID 115872924

IUPACN-methyl-N-(2-methylpropyl)pent-4-yn-1-amine
SMILESC#CCCCN(C)CC(C)C
InChIInChI=1S/C10H19N/c1-5-6-7-8-11(4)9-10(2)3/h1,10H,6-9H2,2-4H3
InChIKeyQVKWDJLOVZOVCB-UHFFFAOYSA-N
MW153.27 g/mol
LogP1.99
Rot. Bonds5

About N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine

N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine (PubChem CID 115872924) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)pent-4-yn-1-amine
PubChem CID115872924
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-methyl-N-(2-methylpropyl)pent-4-yn-1-amine
SMILESC#CCCCN(C)CC(C)C
InChIInChI=1S/C10H19N/c1-5-6-7-8-11(4)9-10(2)3/h1,10H,6-9H2,2-4H3
InChIKeyQVKWDJLOVZOVCB-UHFFFAOYSA-N
XLogP1.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
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-methyl-N-oct-7-ynyloct-7-yn-1-amine
CID 170134765
2-[methyl(pent-4-ynyl)amino]ethanol
CID 115872742
1-N-but-3-ynyl-1-N-methylpropane-1,2-diamine
CID 130563525
4-fluoro-N-methyl-N-(2-methylpropyl)butan-1-amine
CID 126593992
12-methyltridec-1-yne
CID 10921423
2-[methyl(pent-4-ynyl)amino]acetamide
CID 115872776
N-methyl-N-(1-methylsulfanylpropan-2-yl)pent-4-yn-1-amine
CID 115873128
cesium N-methyl-N-(2-methylpropyl)undecan-1-amine
CID 155752088
N'-methyl-N,N'-bis(2-methylpropyl)propane-1,3-diamine
CID 62421290
N'-(disulfanylmethyl)-N,N'-dimethyl-N-(2-methylpropyl)propane-1,3-diamine
CID 138727017
6,10,14-trimethylpentadec-1-yne
CID 72780458
N-methyl-N-(2-methylpropyl)-N',N'-dipropylethane-1,2-diamine
CID 166733537

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine?
The IUPAC name of N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine (CID 115872924) is N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine?
The canonical SMILES for N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine is C#CCCCN(C)CC(C)C.
What is the InChIKey of N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine?
The InChIKey is QVKWDJLOVZOVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-6-7-8-11(4)9-10(2)3/h1,10H,6-9H2,2-4H3.
What are the key properties of N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine?
N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine has a molecular weight of 153.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)pent-4-yn-1-amine is sourced from PubChem (CID 115872924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).