4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine

C12H26N2 — CID 116937215

IUPAC4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(N)CC(C)C)CC1
InChIInChI=1S/C12H26N2/c1-9(2)8-12(13)10-4-6-11(14-3)7-5-10/h9-12,14H,4-8,13H2,1-3H3
InChIKeyHXUKRUWZPVKPNC-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.14
Rot. Bonds4

About 4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine

4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine (PubChem CID 116937215) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine
PubChem CID116937215
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(N)CC(C)C)CC1
InChIInChI=1S/C12H26N2/c1-9(2)8-12(13)10-4-6-11(14-3)7-5-10/h9-12,14H,4-8,13H2,1-3H3
InChIKeyHXUKRUWZPVKPNC-UHFFFAOYSA-N
XLogP2.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
3-methyl-1-(thiolan-3-yl)butan-1-amine
CID 105083374
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
1-(azetidin-3-yl)-3-methylbutan-1-amine
CID 116935262
3-methyl-1-piperidin-3-ylbutan-1-amine
CID 82412260
4-amino-4-cyclopropyl-1-(methylamino)butane-1,2-diol
CID 159639696
3-methyl-1-pyrrolidin-3-ylbutan-1-amine
CID 82416019
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79111184
(2R,4R)-4-amino-4-cyclohexylbutan-2-ol
CID 131096382
5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161046
1-cyclooctyl-5-methylhexan-1-amine
CID 83162244
2-amino-1-cyclopropyl-4-methylpentan-1-ol
CID 62762197

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine (CID 116937215) is 4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine is CNC1CCC(C(N)CC(C)C)CC1.
What is the InChIKey of 4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine?
The InChIKey is HXUKRUWZPVKPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-9(2)8-12(13)10-4-6-11(14-3)7-5-10/h9-12,14H,4-8,13H2,1-3H3.
What are the key properties of 4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine?
4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116937215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).