N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine

C14H32N2 — CID 115712733

IUPACN',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
SMILESCCCC(C)NCCCCCCCN(C)C
InChIInChI=1S/C14H32N2/c1-5-11-14(2)15-12-9-7-6-8-10-13-16(3)4/h14-15H,5-13H2,1-4H3
InChIKeyMTNQWYGDQJQUEH-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.28
Rot. Bonds11

About N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine

N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine (PubChem CID 115712733) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
PubChem CID115712733
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine
SMILESCCCC(C)NCCCCCCCN(C)C
InChIInChI=1S/C14H32N2/c1-5-11-14(2)15-12-9-7-6-8-10-13-16(3)4/h14-15H,5-13H2,1-4H3
InChIKeyMTNQWYGDQJQUEH-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.28
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-pentan-2-ylheptan-1-amine
CID 43129169
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
1-N-[3-(dimethylamino)propyl]-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63694168
N',N'-dimethyl-N-pentan-3-ylheptane-1,7-diamine
CID 115712735
N-heptan-2-yldodecan-1-amine
CID 63491878
N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N',N'-dimethyl-N-(4-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 114525279

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine?
The IUPAC name of N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine (CID 115712733) is N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine.
What is the SMILES notation for N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine?
The canonical SMILES for N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine is CCCC(C)NCCCCCCCN(C)C.
What is the InChIKey of N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine?
The InChIKey is MTNQWYGDQJQUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-5-11-14(2)15-12-9-7-6-8-10-13-16(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine?
N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-pentan-2-ylheptane-1,7-diamine is sourced from PubChem (CID 115712733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).