N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine

C13H30N2 — CID 61465971

IUPACN-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
SMILESCCCCCC(C)NCCNC(C)CC
InChIInChI=1S/C13H30N2/c1-5-7-8-9-13(4)15-11-10-14-12(3)6-2/h12-15H,5-11H2,1-4H3
InChIKeyVHCBTLDPQBRZCB-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.93
Rot. Bonds10

About N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine

N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine (PubChem CID 61465971) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
PubChem CID61465971
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine
SMILESCCCCCC(C)NCCNC(C)CC
InChIInChI=1S/C13H30N2/c1-5-7-8-9-13(4)15-11-10-14-12(3)6-2/h12-15H,5-11H2,1-4H3
InChIKeyVHCBTLDPQBRZCB-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptan-2-ylheptan-1-amine
CID 43572726
N-octan-2-ylnonan-1-amine
CID 63491715
N-propylnonan-2-amine
CID 43129664
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
(2R)-N-(2-fluoroethyl)heptan-2-amine
CID 124512751
(2R)-4-[[(2R)-heptan-2-yl]amino]butan-2-ol
CID 97030460
(2R)-4-[[(2S)-heptan-2-yl]amino]butan-2-ol
CID 97030461
(2S)-4-[[(2R)-octan-2-yl]amino]butan-2-ol
CID 96784182

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine (CID 61465971) is N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine is CCCCCC(C)NCCNC(C)CC.
What is the InChIKey of N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine?
The InChIKey is VHCBTLDPQBRZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-7-8-9-13(4)15-11-10-14-12(3)6-2/h12-15H,5-11H2,1-4H3.
What are the key properties of N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine?
N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-heptan-2-ylethane-1,2-diamine is sourced from PubChem (CID 61465971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).