1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine

C14H32N2 — CID 43109334

IUPAC1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCCCCCC(C)NCC(C(C)C)N(C)C
InChIInChI=1S/C14H32N2/c1-7-8-9-10-13(4)15-11-14(12(2)3)16(5)6/h12-15H,7-11H2,1-6H3
InChIKeyREOJUXLTWSYFQQ-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds9

About 1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43109334) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43109334
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCCCCCC(C)NCC(C(C)C)N(C)C
InChIInChI=1S/C14H32N2/c1-7-8-9-10-13(4)15-11-14(12(2)3)16(5)6/h12-15H,7-11H2,1-6H3
InChIKeyREOJUXLTWSYFQQ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
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

1-(heptan-2-ylamino)-3-methylpentan-2-ol
CID 115719538
N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine
CID 63982163
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655
N-heptan-2-yl-N',2-dimethylpropane-1,3-diamine
CID 79201836
2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine
CID 43107601
N',N'-dimethyl-N-nonan-2-ylethane-1,2-diamine
CID 23468012
N-heptan-2-yl-N',N'-dimethylpropane-1,3-diamine
CID 43201514
1-(heptan-2-ylamino)-3-methoxypropan-2-ol
CID 63930489
N'-heptan-2-yl-2-methoxypropane-1,3-diamine
CID 106114667
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-ylheptan-1-amine
CID 43572726
N-propylnonan-2-amine
CID 43129664

Frequently Asked Questions

What is the IUPAC name of 1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43109334) is 1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine is CCCCCC(C)NCC(C(C)C)N(C)C.
What is the InChIKey of 1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is REOJUXLTWSYFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-8-9-10-13(4)15-11-14(12(2)3)16(5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of 1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-heptan-2-yl-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43109334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).