N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine

C12H28N2 — CID 43201514

IUPACN-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCCC(C)NCCCN(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-9-12(2)13-10-8-11-14(3)4/h12-13H,5-11H2,1-4H3
InChIKeyHEEVISSHZYGBHY-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds9

About N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine

N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 43201514) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
PubChem CID43201514
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
SMILESCCCCCC(C)NCCCN(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-9-12(2)13-10-8-11-14(3)4/h12-13H,5-11H2,1-4H3
InChIKeyHEEVISSHZYGBHY-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
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

N-heptadecan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 166889423
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-butylundecan-2-amine
CID 90035852
N-octan-2-ylundecan-1-amine
CID 150124606
N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
CID 115712733
N'-[2-(dimethylamino)ethyl]-N-heptan-2-yl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555157
N'-(3-aminopropyl)-N'-[3-(decan-2-ylamino)propyl]propane-1,3-diamine
CID 90853445
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yl-N'-methyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62560190

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine (CID 43201514) is N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine is CCCCCC(C)NCCCN(C)C.
What is the InChIKey of N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is HEEVISSHZYGBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-6-7-9-12(2)13-10-8-11-14(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine?
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 43201514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).