N',N'-bis(2-methylpropyl)hexane-1,6-diamine

C14H32N2 — CID 18000089

IUPACN',N'-bis(2-methylpropyl)hexane-1,6-diamine
SMILESCC(C)CN(CCCCCCN)CC(C)C
InChIInChI=1S/C14H32N2/c1-13(2)11-16(12-14(3)4)10-8-6-5-7-9-15/h13-14H,5-12,15H2,1-4H3
InChIKeyNRKKJMFAXXHDEG-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.12
Rot. Bonds10

About N',N'-bis(2-methylpropyl)hexane-1,6-diamine

N',N'-bis(2-methylpropyl)hexane-1,6-diamine (PubChem CID 18000089) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N',N'-bis(2-methylpropyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN',N'-bis(2-methylpropyl)hexane-1,6-diamine
PubChem CID18000089
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN',N'-bis(2-methylpropyl)hexane-1,6-diamine
SMILESCC(C)CN(CCCCCCN)CC(C)C
InChIInChI=1S/C14H32N2/c1-13(2)11-16(12-14(3)4)10-8-6-5-7-9-15/h13-14H,5-12,15H2,1-4H3
InChIKeyNRKKJMFAXXHDEG-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.12
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

CID 20972
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CID 258544
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CID 83132
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CID 9856236
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CID 38073
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CID 177722
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CID 9856454
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CID 3822076
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CID 4357340
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CID 4584949
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CID 44317495
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CID 204875
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Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methylpropyl)hexane-1,6-diamine?
The IUPAC name of N',N'-bis(2-methylpropyl)hexane-1,6-diamine (CID 18000089) is N',N'-bis(2-methylpropyl)hexane-1,6-diamine.
What is the SMILES notation for N',N'-bis(2-methylpropyl)hexane-1,6-diamine?
The canonical SMILES for N',N'-bis(2-methylpropyl)hexane-1,6-diamine is CC(C)CN(CCCCCCN)CC(C)C.
What is the InChIKey of N',N'-bis(2-methylpropyl)hexane-1,6-diamine?
The InChIKey is NRKKJMFAXXHDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-13(2)11-16(12-14(3)4)10-8-6-5-7-9-15/h13-14H,5-12,15H2,1-4H3.
What are the key properties of N',N'-bis(2-methylpropyl)hexane-1,6-diamine?
N',N'-bis(2-methylpropyl)hexane-1,6-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methylpropyl)hexane-1,6-diamine is sourced from PubChem (CID 18000089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).