1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine

C12H28N2 — CID 81490182

IUPAC1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine
SMILESCCCCCN(C)CCC(N)C(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-9-14(4)10-8-12(13)11(2)3/h11-12H,5-10,13H2,1-4H3
InChIKeyYKQAFECUDOOMIC-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds8

About 1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine

1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine (PubChem CID 81490182) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine
PubChem CID81490182
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine
SMILESCCCCCN(C)CCC(N)C(C)C
InChIInChI=1S/C12H28N2/c1-5-6-7-9-14(4)10-8-12(13)11(2)3/h11-12H,5-10,13H2,1-4H3
InChIKeyYKQAFECUDOOMIC-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
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

(3R)-2-methylundecan-3-amine
CID 167260316
N-butyl-N-methylpentan-1-amine
CID 54060013
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
1-N-decyl-1-N-methylpropane-1,2-diamine
CID 63758995

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine (CID 81490182) is 1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine is CCCCCN(C)CCC(N)C(C)C.
What is the InChIKey of 1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine?
The InChIKey is YKQAFECUDOOMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-5-6-7-9-14(4)10-8-12(13)11(2)3/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine?
1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine is sourced from PubChem (CID 81490182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).