1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine

C12H28N2 — CID 170658406

IUPAC1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine
SMILESCC(C)C(CCCCN(C)C)N(C)C
InChIInChI=1S/C12H28N2/c1-11(2)12(14(5)6)9-7-8-10-13(3)4/h11-12H,7-10H2,1-6H3
InChIKeyZRKDDECUCCDSQT-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.30
Rot. Bonds7

About 1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine

1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine (PubChem CID 170658406) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine.

Molecular Properties

Compound Name1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine
PubChem CID170658406
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine
SMILESCC(C)C(CCCCN(C)C)N(C)C
InChIInChI=1S/C12H28N2/c1-11(2)12(14(5)6)9-7-8-10-13(3)4/h11-12H,7-10H2,1-6H3
InChIKeyZRKDDECUCCDSQT-UHFFFAOYSA-N
XLogP2.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N,4-N,5-tetramethyl-1-N-(3-methylbutan-2-yl)hexane-1,4-diamine
CID 138662279
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
N,N,N',N',2-pentamethylhexane-1,6-diamine
CID 161408283
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
6-(dimethylamino)-2-methylhexanenitrile
CID 54049734
N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine
CID 156850160
6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
CID 63701347
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
CID 63693646
1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
3,5-bis(dimethylamino)pentan-2-ol
CID 57282569
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999
3-[1-amino-9-(dimethylamino)-2-methylnonan-3-yl]oxy-N',N',2-trimethylnonane-1,9-diamine
CID 88670688

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine?
The IUPAC name of 1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine (CID 170658406) is 1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine.
What is the SMILES notation for 1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine?
The canonical SMILES for 1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine is CC(C)C(CCCCN(C)C)N(C)C.
What is the InChIKey of 1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine?
The InChIKey is ZRKDDECUCCDSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-11(2)12(14(5)6)9-7-8-10-13(3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine?
1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine is sourced from PubChem (CID 170658406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).