3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine

C15H30N2 — CID 63682552

IUPAC3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
SMILESCCNCCC(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-4-16-8-7-12(2)17(3)11-15-10-13-5-6-14(15)9-13/h12-16H,4-11H2,1-3H3
InChIKeyBKDDMWZHGYIEBC-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.74
Rot. Bonds7

About 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine

3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine (PubChem CID 63682552) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
PubChem CID63682552
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine
SMILESCCNCCC(C)N(C)CC1CC2CCC1C2
InChIInChI=1S/C15H30N2/c1-4-16-8-7-12(2)17(3)11-15-10-13-5-6-14(15)9-13/h12-16H,4-11H2,1-3H3
InChIKeyBKDDMWZHGYIEBC-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.74
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-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 63681872
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 63681876
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 63681849
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N,3-dimethyl-1-N-propylbutane-1,2-diamine
CID 63682556
2-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-N-methyl-3-N-propylpentane-2,3-diamine
CID 55231633
1-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-3-(ethylamino)propan-2-ol
CID 63682237
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727728
ethyl 3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanoate
CID 63683321
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanimidamide
CID 63683483
1-N-ethyl-3-N-methyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-1,3-diamine
CID 55174617
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119504552
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]butanamide
CID 63682682

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine (CID 63682552) is 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine is CCNCCC(C)N(C)CC1CC2CCC1C2.
What is the InChIKey of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine?
The InChIKey is BKDDMWZHGYIEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-16-8-7-12(2)17(3)11-15-10-13-5-6-14(15)9-13/h12-16H,4-11H2,1-3H3.
What are the key properties of 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine?
3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-ethyl-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 63682552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).