2-(aminomethyl)-2-tert-butylpropane-1,3-diamine

C8H21N3 — CID 166857268

IUPAC2-(aminomethyl)-2-tert-butylpropane-1,3-diamine
SMILESCC(C)(C)C(CN)(CN)CN
InChIInChI=1S/C8H21N3/c1-7(2,3)8(4-9,5-10)6-11/h4-6,9-11H2,1-3H3
InChIKeyXLTJDKHASHWBDF-UHFFFAOYSA-N
MW159.28 g/mol
LogP-0.10
Rot. Bonds3

About 2-(aminomethyl)-2-tert-butylpropane-1,3-diamine

2-(aminomethyl)-2-tert-butylpropane-1,3-diamine (PubChem CID 166857268) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is 2-(aminomethyl)-2-tert-butylpropane-1,3-diamine.

Molecular Properties

Compound Name2-(aminomethyl)-2-tert-butylpropane-1,3-diamine
PubChem CID166857268
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name2-(aminomethyl)-2-tert-butylpropane-1,3-diamine
SMILESCC(C)(C)C(CN)(CN)CN
InChIInChI=1S/C8H21N3/c1-7(2,3)8(4-9,5-10)6-11/h4-6,9-11H2,1-3H3
InChIKeyXLTJDKHASHWBDF-UHFFFAOYSA-N
XLogP-0.10
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-3,3-dimethylpentan-1-amine
CID 166876877
2,2-dimethylpropane-1,3-diamine
CID 162099967
azane;2,2-dimethylpropan-1-amine;hydrochloride
CID 178079303
2,4,4-trimethylpentane-1,2,3,3-tetramine
CID 154154376
ethane;2-fluoro-2-methylpropan-1-amine
CID 166112006
2,2-dimethylpropan-1-amine;ethane;methanol
CID 142984269
2-methylpropane-1,2-diamine;zinc;hydrochloride
CID 175571539
1-amino-2-methylpropane-2-thiol;hydrochloride
CID 13049104
2,3,3-trifluoro-2-methylpropan-1-amine
CID 112565083
2-N,2-N-bis(1-amino-2-methylpropan-2-yl)-2-methylpropane-1,2-diamine
CID 87494443
2-[4-(1-amino-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-amine;hydrochloride
CID 74889721
2-methyl-2-(trifluoromethoxy)propan-1-amine
CID 130569950

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-tert-butylpropane-1,3-diamine?
The IUPAC name of 2-(aminomethyl)-2-tert-butylpropane-1,3-diamine (CID 166857268) is 2-(aminomethyl)-2-tert-butylpropane-1,3-diamine.
What is the SMILES notation for 2-(aminomethyl)-2-tert-butylpropane-1,3-diamine?
The canonical SMILES for 2-(aminomethyl)-2-tert-butylpropane-1,3-diamine is CC(C)(C)C(CN)(CN)CN.
What is the InChIKey of 2-(aminomethyl)-2-tert-butylpropane-1,3-diamine?
The InChIKey is XLTJDKHASHWBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-7(2,3)8(4-9,5-10)6-11/h4-6,9-11H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-tert-butylpropane-1,3-diamine?
2-(aminomethyl)-2-tert-butylpropane-1,3-diamine has a molecular weight of 159.28 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-tert-butylpropane-1,3-diamine is sourced from PubChem (CID 166857268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).