N,N,N',N',2-pentamethylhexane-1,6-diamine

C11H26N2 — CID 161408283

IUPACN,N,N',N',2-pentamethylhexane-1,6-diamine
SMILESCC(CCCCN(C)C)CN(C)C
InChIInChI=1S/C11H26N2/c1-11(10-13(4)5)8-6-7-9-12(2)3/h11H,6-10H2,1-5H3
InChIKeyBIMSCDYZQRRAFC-UHFFFAOYSA-N
MW186.34 g/mol
LogP1.92
Rot. Bonds7

About N,N,N',N',2-pentamethylhexane-1,6-diamine

N,N,N',N',2-pentamethylhexane-1,6-diamine (PubChem CID 161408283) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N,N,N',N',2-pentamethylhexane-1,6-diamine.

Molecular Properties

Compound NameN,N,N',N',2-pentamethylhexane-1,6-diamine
PubChem CID161408283
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN,N,N',N',2-pentamethylhexane-1,6-diamine
SMILESCC(CCCCN(C)C)CN(C)C
InChIInChI=1S/C11H26N2/c1-11(10-13(4)5)8-6-7-9-12(2)3/h11H,6-10H2,1-5H3
InChIKeyBIMSCDYZQRRAFC-UHFFFAOYSA-N
XLogP1.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 51.92
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

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CID 90750057
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N-dodecyl-N,2-dimethyldodecan-1-amine
CID 167511099
1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine
CID 170658406
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
N,N,8-trimethyl-5-propylnonan-1-amine
CID 123144577
ethane;5-methoxy-N,N,4-trimethylpentan-1-amine
CID 143609953
6-(dimethylamino)-2-methylhexanenitrile
CID 54049734
ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
CID 156821582
1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
CID 63693646
6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
CID 63701347
N,N,N',N'-tetramethylpentane-1,5-diamine;dihydrobromide
CID 173097999

Frequently Asked Questions

What is the IUPAC name of N,N,N',N',2-pentamethylhexane-1,6-diamine?
The IUPAC name of N,N,N',N',2-pentamethylhexane-1,6-diamine (CID 161408283) is N,N,N',N',2-pentamethylhexane-1,6-diamine.
What is the SMILES notation for N,N,N',N',2-pentamethylhexane-1,6-diamine?
The canonical SMILES for N,N,N',N',2-pentamethylhexane-1,6-diamine is CC(CCCCN(C)C)CN(C)C.
What is the InChIKey of N,N,N',N',2-pentamethylhexane-1,6-diamine?
The InChIKey is BIMSCDYZQRRAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-11(10-13(4)5)8-6-7-9-12(2)3/h11H,6-10H2,1-5H3.
What are the key properties of N,N,N',N',2-pentamethylhexane-1,6-diamine?
N,N,N',N',2-pentamethylhexane-1,6-diamine has a molecular weight of 186.34 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N',2-pentamethylhexane-1,6-diamine is sourced from PubChem (CID 161408283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).