N'-propan-2-yl-2-propylpropane-1,3-diamine

C9H22N2 — CID 65232689

IUPACN'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CNC(C)C
InChIInChI=1S/C9H22N2/c1-4-5-9(6-10)7-11-8(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyBZADTDFBFAVVME-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.36
Rot. Bonds6

About N'-propan-2-yl-2-propylpropane-1,3-diamine

N'-propan-2-yl-2-propylpropane-1,3-diamine (PubChem CID 65232689) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-propan-2-yl-2-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-2-propylpropane-1,3-diamine
PubChem CID65232689
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-propan-2-yl-2-propylpropane-1,3-diamine
SMILESCCCC(CN)CNC(C)C
InChIInChI=1S/C9H22N2/c1-4-5-9(6-10)7-11-8(2)3/h8-9,11H,4-7,10H2,1-3H3
InChIKeyBZADTDFBFAVVME-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-2-propylheptan-1-amine
CID 62529127
3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
2-(2-methoxyethyl)-N-propan-2-ylpentan-1-amine
CID 62529731
(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224
3-N-(2-ethylpentyl)butane-1,3-diamine
CID 143412123
N'-(7-methyloctyl)-2-propylpropane-1,3-diamine
CID 107815762
2-(2-cyclohexylethyl)-N-propan-2-ylpentan-1-amine
CID 114192486
ethane;3-N-(2-ethylpentyl)butane-1,3-diamine
CID 143412122
2-(2-phenylsulfanylethyl)-N-propan-2-ylpentan-1-amine
CID 79227368
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
2-[(3,5-dimethylphenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55194499
2-[2-(3-methoxypropoxy)ethyl]-N-propan-2-ylpentan-1-amine
CID 103183286

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-2-propylpropane-1,3-diamine?
The IUPAC name of N'-propan-2-yl-2-propylpropane-1,3-diamine (CID 65232689) is N'-propan-2-yl-2-propylpropane-1,3-diamine.
What is the SMILES notation for N'-propan-2-yl-2-propylpropane-1,3-diamine?
The canonical SMILES for N'-propan-2-yl-2-propylpropane-1,3-diamine is CCCC(CN)CNC(C)C.
What is the InChIKey of N'-propan-2-yl-2-propylpropane-1,3-diamine?
The InChIKey is BZADTDFBFAVVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-5-9(6-10)7-11-8(2)3/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of N'-propan-2-yl-2-propylpropane-1,3-diamine?
N'-propan-2-yl-2-propylpropane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-2-propylpropane-1,3-diamine is sourced from PubChem (CID 65232689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).