N'-(2-aminopropyl)-2-methylpropane-1,3-diamine

C7H19N3 — CID 168896832

IUPACN'-(2-aminopropyl)-2-methylpropane-1,3-diamine
SMILESCC(N)CNCC(C)CN
InChIInChI=1S/C7H19N3/c1-6(3-8)4-10-5-7(2)9/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyDHXOHJMMHOSKKE-UHFFFAOYSA-N
MW145.25 g/mol
LogP-0.48
Rot. Bonds5

About N'-(2-aminopropyl)-2-methylpropane-1,3-diamine

N'-(2-aminopropyl)-2-methylpropane-1,3-diamine (PubChem CID 168896832) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is N'-(2-aminopropyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-aminopropyl)-2-methylpropane-1,3-diamine
PubChem CID168896832
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC NameN'-(2-aminopropyl)-2-methylpropane-1,3-diamine
SMILESCC(N)CNCC(C)CN
InChIInChI=1S/C7H19N3/c1-6(3-8)4-10-5-7(2)9/h6-7,10H,3-5,8-9H2,1-2H3
InChIKeyDHXOHJMMHOSKKE-UHFFFAOYSA-N
XLogP-0.48
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,2-difluoroethyl)-2-methylpropane-1,3-diamine
CID 115407517
1-[(3-amino-2-methylpropyl)amino]propan-2-ol
CID 130604418
2-methyl-N'-(2,2,3,3-tetramethylbutyl)propane-1,3-diamine
CID 115198913
[[(2R)-2-aminopropyl]amino]methanethiol
CID 163875264
2-N-[2-[2-(2-aminopropylamino)propylamino]propyl]propane-1,2-diamine
CID 14795132
3-[(3-amino-2-methylpropyl)amino]propanenitrile
CID 130604402
(2S)-propane-1,2-diamine
CID 642322
(4S)-2-methylpentane-1,4-diamine
CID 170201725
ethane;1-N-ethylpropane-1,2-diamine;propane
CID 145389769
2-methyl-3-(methylaminooxy)propan-1-amine
CID 20681277
2-methylhexane-1,5-diamine
CID 18314368
2-methyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
CID 62669491

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminopropyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N'-(2-aminopropyl)-2-methylpropane-1,3-diamine (CID 168896832) is N'-(2-aminopropyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-aminopropyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2-aminopropyl)-2-methylpropane-1,3-diamine is CC(N)CNCC(C)CN.
What is the InChIKey of N'-(2-aminopropyl)-2-methylpropane-1,3-diamine?
The InChIKey is DHXOHJMMHOSKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-6(3-8)4-10-5-7(2)9/h6-7,10H,3-5,8-9H2,1-2H3.
What are the key properties of N'-(2-aminopropyl)-2-methylpropane-1,3-diamine?
N'-(2-aminopropyl)-2-methylpropane-1,3-diamine has a molecular weight of 145.25 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminopropyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 168896832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).