N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine

C8H21N3 — CID 23568513

IUPACN-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CN)CC(C)(C)CCN
InChIInChI=1S/C8H21N3/c1-8(2,4-5-9)6-11(3)7-10/h4-7,9-10H2,1-3H3
InChIKeyXGTJNDQIMAQMRC-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.21
Rot. Bonds5

About N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine

N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine (PubChem CID 23568513) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine
PubChem CID23568513
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC NameN-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine
SMILESCN(CN)CC(C)(C)CCN
InChIInChI=1S/C8H21N3/c1-8(2,4-5-9)6-11(3)7-10/h4-7,9-10H2,1-3H3
InChIKeyXGTJNDQIMAQMRC-UHFFFAOYSA-N
XLogP0.21
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(2,2-difluoropropyl)-N'-methylmethanediamine
CID 134422157
N,2,2-trimethyl-N-[(2,4,5-trimethylphenyl)methyl]butane-1,4-diamine
CID 115204508
N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine
CID 115204377
N-[(4-fluoro-3-methylphenyl)methyl]-N,2,2-trimethylbutane-1,4-diamine
CID 115204487
N-(2,3-dihydro-1H-inden-5-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204299
N'-(3,3-dimethylbutyl)-N',2,2-trimethylpropane-1,3-diamine
CID 79652389
4-amino-2,2-dimethylbutan-1-ol
CID 55253832
N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115204376
N-(5-chlorothiophen-2-yl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204304
N,2,2-trimethyl-N-(5-methylfuran-2-yl)butane-1,4-diamine
CID 115204362
N-(3,4-difluorophenyl)-N,2,2-trimethylbutane-1,4-diamine
CID 115204315
N,2,2-trimethyl-N-propylpentan-1-amine
CID 143480097

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine (CID 23568513) is N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine is CN(CN)CC(C)(C)CCN.
What is the InChIKey of N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine?
The InChIKey is XGTJNDQIMAQMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-8(2,4-5-9)6-11(3)7-10/h4-7,9-10H2,1-3H3.
What are the key properties of N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine?
N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine has a molecular weight of 159.28 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-N,2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 23568513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).