1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine

C15H30N2O — CID 81101889

IUPAC1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine
SMILESCOCCCC(N)CN(C)CC1CC2CCC1C2
InChIInChI=1S/C15H30N2O/c1-17(11-15(16)4-3-7-18-2)10-14-9-12-5-6-13(14)8-12/h12-15H,3-11,16H2,1-2H3
InChIKeyQZAJHXOPTUBEDD-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.11
Rot. Bonds8

About 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine

1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine (PubChem CID 81101889) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine
PubChem CID81101889
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine
SMILESCOCCCC(N)CN(C)CC1CC2CCC1C2
InChIInChI=1S/C15H30N2O/c1-17(11-15(16)4-3-7-18-2)10-14-9-12-5-6-13(14)8-12/h12-15H,3-11,16H2,1-2H3
InChIKeyQZAJHXOPTUBEDD-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N-methylpropane-1,2-diamine
CID 63681727
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-2-amine
CID 79562664
4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
CID 63859672
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-N-methylpropan-1-amine
CID 80667462
4-(2-bicyclo[2.2.1]heptanyl)-1-methoxybutan-2-amine
CID 79558016
1-(2-bicyclo[2.2.1]heptanyl)-5-ethoxypentan-2-amine
CID 105167957
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxypropan-2-amine
CID 79563160
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63683279
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-1-ol
CID 114855056
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
N'-(2-bicyclo[2.2.1]heptanylmethyl)-N',2-dimethylpentane-1,5-diamine
CID 82684236
3-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(propan-2-ylamino)propanamide
CID 63682865

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine?
The IUPAC name of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine (CID 81101889) is 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine?
The canonical SMILES for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine is COCCCC(N)CN(C)CC1CC2CCC1C2.
What is the InChIKey of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine?
The InChIKey is QZAJHXOPTUBEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-17(11-15(16)4-3-7-18-2)10-14-9-12-5-6-13(14)8-12/h12-15H,3-11,16H2,1-2H3.
What are the key properties of 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine?
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine is sourced from PubChem (CID 81101889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).