1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine

C10H25N3 — CID 18411129

IUPAC1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CN(CC(C)N)CC(C)N
InChIInChI=1S/C10H25N3/c1-8(2)5-13(6-9(3)11)7-10(4)12/h8-10H,5-7,11-12H2,1-4H3
InChIKeyWXBFPRDDDHKNIY-UHFFFAOYSA-N
MW187.33 g/mol
LogP0.64
Rot. Bonds6

About 1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine

1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 18411129) has the molecular formula C10H25N3 and a molecular weight of 187.33 g/mol. Its IUPAC name is 1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID18411129
Molecular FormulaC10H25N3
Molecular Weight187.33 g/mol
Exact Mass187.20
IUPAC Name1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESCC(C)CN(CC(C)N)CC(C)N
InChIInChI=1S/C10H25N3/c1-8(2)5-13(6-9(3)11)7-10(4)12/h8-10H,5-7,11-12H2,1-4H3
InChIKeyWXBFPRDDDHKNIY-UHFFFAOYSA-N
XLogP0.64
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

alumane;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 158194503
(2R)-1-N,1-N-diethylpropane-1,2-diamine;dihydrochloride
CID 137346902
(2S)-1-N-(2-methylpropyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103934564
1-N-(2-methylpropyl)-1-N-phosphanylpropane-1,2-diamine
CID 145321212
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine
CID 81101510
1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43650469
N,N'-bis[2-[bis(2-methylpropyl)amino]ethyl]-N,N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 140903521
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448
(2R)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
CID 103934531
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
CID 22731000

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine (CID 18411129) is 1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine is CC(C)CN(CC(C)N)CC(C)N.
What is the InChIKey of 1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is WXBFPRDDDHKNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3/c1-8(2)5-13(6-9(3)11)7-10(4)12/h8-10H,5-7,11-12H2,1-4H3.
What are the key properties of 1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 187.33 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminopropyl)-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 18411129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).