3-N-propan-2-yl-3-N-propylheptane-3,4-diamine

C13H30N2 — CID 43269503

IUPAC3-N-propan-2-yl-3-N-propylheptane-3,4-diamine
SMILESCCCC(N)C(CC)N(CCC)C(C)C
InChIInChI=1S/C13H30N2/c1-6-9-12(14)13(8-3)15(10-7-2)11(4)5/h11-13H,6-10,14H2,1-5H3
InChIKeyPUYFDILDLVGUAL-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.01
Rot. Bonds8

About 3-N-propan-2-yl-3-N-propylheptane-3,4-diamine

3-N-propan-2-yl-3-N-propylheptane-3,4-diamine (PubChem CID 43269503) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 3-N-propan-2-yl-3-N-propylheptane-3,4-diamine.

Molecular Properties

Compound Name3-N-propan-2-yl-3-N-propylheptane-3,4-diamine
PubChem CID43269503
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name3-N-propan-2-yl-3-N-propylheptane-3,4-diamine
SMILESCCCC(N)C(CC)N(CCC)C(C)C
InChIInChI=1S/C13H30N2/c1-6-9-12(14)13(8-3)15(10-7-2)11(4)5/h11-13H,6-10,14H2,1-5H3
InChIKeyPUYFDILDLVGUAL-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-[propan-2-yl(propyl)amino]pentan-1-ol
CID 104840311
3-N-methyl-3-N-(2-propan-2-yloxyethyl)heptane-3,4-diamine
CID 81056050
3-amino-4-methoxy-2-[propan-2-yl(propyl)amino]butan-1-ol
CID 114356584
3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine
CID 79477732
(4R,5R)-octane-4,5-diamine
CID 13138963
3-N-ethyl-3-N-(2-ethylbutyl)heptane-3,4-diamine
CID 61436771
2-N,2-N-dimethylhexane-2,3-diamine
CID 82417789
3-N-methyl-3-N-(4-methylcyclohexyl)heptane-3,4-diamine
CID 61437065
4-ethylsulfanyl-2-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 116503968
N'-hydroxy-2-[propan-2-yl(propyl)amino]butanimidamide
CID 76915771
3-N-cyclohexyl-3-N-ethylheptane-3,4-diamine
CID 43423216
3-amino-2-[propan-2-yl(propyl)amino]propan-1-ol
CID 104710820

Frequently Asked Questions

What is the IUPAC name of 3-N-propan-2-yl-3-N-propylheptane-3,4-diamine?
The IUPAC name of 3-N-propan-2-yl-3-N-propylheptane-3,4-diamine (CID 43269503) is 3-N-propan-2-yl-3-N-propylheptane-3,4-diamine.
What is the SMILES notation for 3-N-propan-2-yl-3-N-propylheptane-3,4-diamine?
The canonical SMILES for 3-N-propan-2-yl-3-N-propylheptane-3,4-diamine is CCCC(N)C(CC)N(CCC)C(C)C.
What is the InChIKey of 3-N-propan-2-yl-3-N-propylheptane-3,4-diamine?
The InChIKey is PUYFDILDLVGUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-9-12(14)13(8-3)15(10-7-2)11(4)5/h11-13H,6-10,14H2,1-5H3.
What are the key properties of 3-N-propan-2-yl-3-N-propylheptane-3,4-diamine?
3-N-propan-2-yl-3-N-propylheptane-3,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propan-2-yl-3-N-propylheptane-3,4-diamine is sourced from PubChem (CID 43269503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).