N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine

C14H32N2 — CID 156850160

IUPACN',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine
SMILESCC(C)NCC(CCCCN(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-12(2)14(11-15-13(3)4)9-7-8-10-16(5)6/h12-15H,7-11H2,1-6H3
InChIKeyGKTLOSPNASOVIF-UHFFFAOYSA-N
MW228.42 g/mol
LogP2.99
Rot. Bonds9

About N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine

N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine (PubChem CID 156850160) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine
PubChem CID156850160
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC NameN',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine
SMILESCC(C)NCC(CCCCN(C)C)C(C)C
InChIInChI=1S/C14H32N2/c1-12(2)14(11-15-13(3)4)9-7-8-10-16(5)6/h12-15H,7-11H2,1-6H3
InChIKeyGKTLOSPNASOVIF-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 52.99
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

2-N-[3-(dimethylamino)propyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 63725992
4-ethyl-N,N,5-trimethylhexan-1-amine
CID 91536277
1-N,1-N,5-N,5-N,6-pentamethylheptane-1,5-diamine
CID 170658406
3-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)butan-1-amine
CID 62528171
2-N-[2-(dimethylamino)ethyl]-2-N,3-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 63701229
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
5-[2-(dimethylamino)ethyl]-N,N,N'-trimethyl-4-(methylaminomethyl)nonane-1,9-diamine
CID 90889104
N,N,N',N',2-pentamethylhexane-1,6-diamine
CID 161408283
2-N-methyl-2-N-pentyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83054356
N,N,N',N'-tetramethylbutane-1,4-diamine;dihydrochloride
CID 20545505
4-(1-iodoethyl)-N,N-dimethylnonan-1-amine
CID 167004747
6-(dimethylamino)-2-methylhexanenitrile
CID 54049734

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine?
The IUPAC name of N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine (CID 156850160) is N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine.
What is the SMILES notation for N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine?
The canonical SMILES for N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine is CC(C)NCC(CCCCN(C)C)C(C)C.
What is the InChIKey of N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine?
The InChIKey is GKTLOSPNASOVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-12(2)14(11-15-13(3)4)9-7-8-10-16(5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine?
N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine has a molecular weight of 228.42 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N,2-di(propan-2-yl)hexane-1,6-diamine is sourced from PubChem (CID 156850160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).