N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine

C13H30N2 — CID 115705393

IUPACN',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine
SMILESCCCC(C)C(CC)NCCCN(C)C
InChIInChI=1S/C13H30N2/c1-6-9-12(3)13(7-2)14-10-8-11-15(4)5/h12-14H,6-11H2,1-5H3
InChIKeyKASGGHDUDGKOGD-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.74
Rot. Bonds9

About N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine

N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine (PubChem CID 115705393) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine
PubChem CID115705393
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine
SMILESCCCC(C)C(CC)NCCCN(C)C
InChIInChI=1S/C13H30N2/c1-6-9-12(3)13(7-2)14-10-8-11-15(4)5/h12-14H,6-11H2,1-5H3
InChIKeyKASGGHDUDGKOGD-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(3-methylsulfinylpropyl)heptan-3-amine
CID 115721009
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
CID 115712733
N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
2-N,2-N,2-trimethyl-1-N-(4-methylheptan-3-yl)propane-1,2-diamine
CID 115705841
4-methyl-N-propyldecan-5-amine
CID 115837654
1-N,1-N-diethyl-4-methyl-3-N-propylheptane-1,3-diamine
CID 107896692
1-N'-[3-(dimethylamino)propyl]-3-N,3-N-dimethylpropane-1,1,3-triamine
CID 57022854
N',N'-dimethyl-N-pentan-3-ylheptane-1,7-diamine
CID 115712735
4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine
CID 115888843
3-[3-(dimethylamino)propylamino]dodecan-1-ol
CID 169107448
4-methyl-7-methylsulfonyl-N-propylheptan-3-amine
CID 63562509

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine (CID 115705393) is N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine is CCCC(C)C(CC)NCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine?
The InChIKey is KASGGHDUDGKOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-9-12(3)13(7-2)14-10-8-11-15(4)5/h12-14H,6-11H2,1-5H3.
What are the key properties of N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(4-methylheptan-3-yl)propane-1,3-diamine is sourced from PubChem (CID 115705393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).