2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine

C9H28N6 — CID 158675128

IUPAC2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine
SMILESCC(CN)(CN)CN.NCC(CN)CN
InChIInChI=1S/C5H15N3.C4H13N3/c1-5(2-6,3-7)4-8;5-1-4(2-6)3-7/h2-4,6-8H2,1H3;4H,1-3,5-7H2
InChIKeyIEKNXICUZPVJRI-UHFFFAOYSA-N
MW220.36 g/mol
LogP-2.65
Rot. Bonds6

About 2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine

2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine (PubChem CID 158675128) has the molecular formula C9H28N6 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine
PubChem CID158675128
Molecular FormulaC9H28N6
Molecular Weight220.36 g/mol
Exact Mass220.24
IUPAC Name2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine
SMILESCC(CN)(CN)CN.NCC(CN)CN
InChIInChI=1S/C5H15N3.C4H13N3/c1-5(2-6,3-7)4-8;5-1-4(2-6)3-7/h2-4,6-8H2,1H3;4H,1-3,5-7H2
InChIKeyIEKNXICUZPVJRI-UHFFFAOYSA-N
XLogP-2.65
TPSA156.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.36
LogP ≤ 5-2.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethylpropane-1,3-diamine
CID 14499053
2,2-dimethylpropane-1,3-diamine
CID 162099967
N'-(2,2-dimethylpropyl)-N'-methyl-2-propylpropane-1,3-diamine
CID 65233192
2-methyl-2-(phosphanylmethyl)butan-1-amine
CID 123759259
N',2-diethyl-N'-(2-ethylbutyl)-2-methylpropane-1,3-diamine
CID 62261128
2,2,4,4-tetramethylpentane-1,3,5-triamine
CID 88802410
2-(2-aminopropoxymethyl)-2-methylpropane-1,3-diamine
CID 140632419
2-ethyl-5,6,6-trimethylheptan-1-amine
CID 130337390
2,3-dimethylpentane-1,2-diamine
CID 130336484
1-amino-3,3,4-trimethylpentan-2-ol
CID 83694403
2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
CID 173037524
4-ethyl-2,2-dimethylhexan-1-amine
CID 82930453

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine?
The IUPAC name of 2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine (CID 158675128) is 2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine.
What is the SMILES notation for 2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine?
The canonical SMILES for 2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine is CC(CN)(CN)CN.NCC(CN)CN.
What is the InChIKey of 2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine?
The InChIKey is IEKNXICUZPVJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N3.C4H13N3/c1-5(2-6,3-7)4-8;5-1-4(2-6)3-7/h2-4,6-8H2,1H3;4H,1-3,5-7H2.
What are the key properties of 2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine?
2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of -2.65, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methylpropane-1,3-diamine;2-(aminomethyl)propane-1,3-diamine is sourced from PubChem (CID 158675128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).