N-methyl-N'-pent-4-ynylpropane-1,3-diamine

C9H18N2 — CID 59962672

IUPACN-methyl-N'-pent-4-ynylpropane-1,3-diamine
SMILESC#CCCCNCCCNC
InChIInChI=1S/C9H18N2/c1-3-4-5-8-11-9-6-7-10-2/h1,10-11H,4-9H2,2H3
InChIKeyBAOAWKXLMFLJTF-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.60
Rot. Bonds7

About N-methyl-N'-pent-4-ynylpropane-1,3-diamine

N-methyl-N'-pent-4-ynylpropane-1,3-diamine (PubChem CID 59962672) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-methyl-N'-pent-4-ynylpropane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-N'-pent-4-ynylpropane-1,3-diamine
PubChem CID59962672
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-methyl-N'-pent-4-ynylpropane-1,3-diamine
SMILESC#CCCCNCCCNC
InChIInChI=1S/C9H18N2/c1-3-4-5-8-11-9-6-7-10-2/h1,10-11H,4-9H2,2H3
InChIKeyBAOAWKXLMFLJTF-UHFFFAOYSA-N
XLogP0.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methylpent-4-yn-1-amine;hydrochloride
CID 119099161
N-methylhept-6-yn-1-amine
CID 64502555
N-ethylpent-4-yn-1-amine
CID 12615597
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N-methylbut-3-yn-1-amine
CID 12623598
tert-butyl N-[3-(pent-4-ynylamino)propyl]carbamate
CID 107095077
N'-[3-[3-[3-(methylamino)propylamino]propylamino]propyl]propane-1,3-diamine
CID 20647748
4-(hex-5-ynylamino)butan-1-ol
CID 106211716
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
CID 106221548
1-(methylamino)oct-7-yn-3-one
CID 116561124
3-(hex-5-ynylamino)propanenitrile
CID 106211843
N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-pent-4-ynylpropane-1,3-diamine?
The IUPAC name of N-methyl-N'-pent-4-ynylpropane-1,3-diamine (CID 59962672) is N-methyl-N'-pent-4-ynylpropane-1,3-diamine.
What is the SMILES notation for N-methyl-N'-pent-4-ynylpropane-1,3-diamine?
The canonical SMILES for N-methyl-N'-pent-4-ynylpropane-1,3-diamine is C#CCCCNCCCNC.
What is the InChIKey of N-methyl-N'-pent-4-ynylpropane-1,3-diamine?
The InChIKey is BAOAWKXLMFLJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-4-5-8-11-9-6-7-10-2/h1,10-11H,4-9H2,2H3.
What are the key properties of N-methyl-N'-pent-4-ynylpropane-1,3-diamine?
N-methyl-N'-pent-4-ynylpropane-1,3-diamine has a molecular weight of 154.26 g/mol, XLogP of 0.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-pent-4-ynylpropane-1,3-diamine is sourced from PubChem (CID 59962672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).