N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine

C15H30N2 — CID 113405492

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCCC1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-12(2)11-17-8-7-16-6-5-15-10-13-3-4-14(15)9-13/h12-17H,3-11H2,1-2H3
InChIKeyUVLWMLJRAOXNTD-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.65
Rot. Bonds8

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 113405492) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID113405492
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCCC1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-12(2)11-17-8-7-16-6-5-15-10-13-3-4-14(15)9-13/h12-17H,3-11H2,1-2H3
InChIKeyUVLWMLJRAOXNTD-UHFFFAOYSA-N
XLogP2.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.65
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-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79606979
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 79562303
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-methoxybutan-2-amine
CID 115714190
N-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]cyclopropanamine
CID 51723135
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-hydroxybutyl)urea
CID 111337233
2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-(2-methylpropyl)thiourea
CID 115602002

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine (CID 113405492) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCNCCC1CC2CCC1C2.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is UVLWMLJRAOXNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(2)11-17-8-7-16-6-5-15-10-13-3-4-14(15)9-13/h12-17H,3-11H2,1-2H3.
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 113405492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).