1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine

C8H21N3 — CID 168800021

IUPAC1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine
SMILESCC(C)NC(NCN)C(C)C
InChIInChI=1S/C8H21N3/c1-6(2)8(10-5-9)11-7(3)4/h6-8,10-11H,5,9H2,1-4H3
InChIKeyVMMRUAGXXVBMPO-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.47
Rot. Bonds5

About 1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine

1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine (PubChem CID 168800021) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is 1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine
PubChem CID168800021
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine
SMILESCC(C)NC(NCN)C(C)C
InChIInChI=1S/C8H21N3/c1-6(2)8(10-5-9)11-7(3)4/h6-8,10-11H,5,9H2,1-4H3
InChIKeyVMMRUAGXXVBMPO-UHFFFAOYSA-N
XLogP0.47
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.47
H-Bond Donors ≤ 53
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

hydrazine;N-propan-2-ylpropan-2-amine
CID 157069346
CID 87569665
CID 87569665
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CID 173236894
2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103387734
CID 174625889
CID 174625889
2-N-propan-2-ylhexane-1,2-diamine
CID 62070850
4-methyl-2-N-propan-2-ylpentane-1,2-diamine
CID 62066978
3-methyl-2-N-(3-methyl-2-propan-2-ylbutyl)butane-1,2-diamine
CID 102912296
N'-[(1S)-2-chloro-1-fluoropropyl]methanediamine
CID 175638595
octan-1-amine;N-propan-2-ylpropan-2-amine
CID 174973073
acetylene;N-propan-2-ylpropan-2-amine
CID 88622285
2,3-dimethylbutane;ethanamine
CID 130404430

Frequently Asked Questions

What is the IUPAC name of 1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine?
The IUPAC name of 1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine (CID 168800021) is 1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine.
What is the SMILES notation for 1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine?
The canonical SMILES for 1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine is CC(C)NC(NCN)C(C)C.
What is the InChIKey of 1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine?
The InChIKey is VMMRUAGXXVBMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-6(2)8(10-5-9)11-7(3)4/h6-8,10-11H,5,9H2,1-4H3.
What are the key properties of 1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine?
1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine has a molecular weight of 159.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(aminomethyl)-2-methyl-1-N'-propan-2-ylpropane-1,1-diamine is sourced from PubChem (CID 168800021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).