N'-butan-2-yl-N-cyclohexylethane-1,2-diamine

C12H26N2 — CID 44630792

IUPACN'-butan-2-yl-N-cyclohexylethane-1,2-diamine
SMILESCCC(C)NCCNC1CCCCC1
InChIInChI=1S/C12H26N2/c1-3-11(2)13-9-10-14-12-7-5-4-6-8-12/h11-14H,3-10H2,1-2H3
InChIKeyNVZOBRQHIZYAPZ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.30
Rot. Bonds6

About N'-butan-2-yl-N-cyclohexylethane-1,2-diamine

N'-butan-2-yl-N-cyclohexylethane-1,2-diamine (PubChem CID 44630792) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-butan-2-yl-N-cyclohexylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N-cyclohexylethane-1,2-diamine
PubChem CID44630792
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-butan-2-yl-N-cyclohexylethane-1,2-diamine
SMILESCCC(C)NCCNC1CCCCC1
InChIInChI=1S/C12H26N2/c1-3-11(2)13-9-10-14-12-7-5-4-6-8-12/h11-14H,3-10H2,1-2H3
InChIKeyNVZOBRQHIZYAPZ-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-propylcyclohexanamine;hydrochloride
CID 17370003
azane;N-propylcyclohexanamine
CID 19368218
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562
N-cyclohexyl-N'-propan-2-ylpropane-1,3-diamine;molecular hydrogen
CID 142089366
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N'-cyclopentyl-N-ethylethane-1,2-diamine
CID 61150069
N-[2-(cyclododecylamino)ethyl]-2-methylpropanamide
CID 28552099
N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 146359522
N-[2-(cyclohexylamino)ethyl]-2-methylpropanamide
CID 28651344
N'-butan-2-yl-N-(2-methoxycyclopentyl)ethane-1,2-diamine
CID 62088427

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N-cyclohexylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N-cyclohexylethane-1,2-diamine (CID 44630792) is N'-butan-2-yl-N-cyclohexylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N-cyclohexylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N-cyclohexylethane-1,2-diamine is CCC(C)NCCNC1CCCCC1.
What is the InChIKey of N'-butan-2-yl-N-cyclohexylethane-1,2-diamine?
The InChIKey is NVZOBRQHIZYAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-11(2)13-9-10-14-12-7-5-4-6-8-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N'-butan-2-yl-N-cyclohexylethane-1,2-diamine?
N'-butan-2-yl-N-cyclohexylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-cyclohexylethane-1,2-diamine is sourced from PubChem (CID 44630792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).