N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine

C16H30N2 — CID 170778884

IUPACN'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H30N2/c1-17-5-3-4-6-18(2)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15,17H,3-12H2,1-2H3
InChIKeyGUKXDEZOAKKQQQ-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.89
Rot. Bonds6

About N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine

N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine (PubChem CID 170778884) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine
PubChem CID170778884
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H30N2/c1-17-5-3-4-6-18(2)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15,17H,3-12H2,1-2H3
InChIKeyGUKXDEZOAKKQQQ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.89
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

3-[1-adamantyl(methyl)amino]propan-1-ol;hydrochloride
CID 2865633
tert-butyl N-[4-[1-adamantyl(methyl)amino]butyl]carbamate
CID 164762963
N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
CID 137019099
CID 137019099
N,N',N'-trimethylheptane-1,7-diamine
CID 20647758
azane;N,N',N'-trimethylhexane-1,6-diamine
CID 23104245
N-methyl-N-[6-(methylamino)hexyl]hydroxylamine
CID 147147994
N'-[2-(1-adamantyl)ethyl]-N-methylethane-1,2-diamine
CID 69239125
N,N'-dimethyl-N'-(2-methylcyclohexyl)pentane-1,5-diamine
CID 62461166
N,N'-dimethyl-N'-propan-2-ylbutane-1,4-diamine
CID 57031301
N'-[6-(dimethylamino)hexyl]-N-methylhexane-1,6-diamine
CID 57013062
N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
CID 63655712

Frequently Asked Questions

What is the IUPAC name of N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine (CID 170778884) is N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine is CNCCCCN(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is GUKXDEZOAKKQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-17-5-3-4-6-18(2)16-10-13-7-14(11-16)9-15(8-13)12-16/h13-15,17H,3-12H2,1-2H3.
What are the key properties of N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine?
N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 250.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 170778884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).