1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine

C18H33N — CID 63420224

IUPAC1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33N/c1-4-5-19-17(6-13(2)3)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-17,19H,4-12H2,1-3H3
InChIKeyVAFKBGIRQDHFQM-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.62
Rot. Bonds6

About 1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine

1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine (PubChem CID 63420224) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine
PubChem CID63420224
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(CC(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H33N/c1-4-5-19-17(6-13(2)3)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-17,19H,4-12H2,1-3H3
InChIKeyVAFKBGIRQDHFQM-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-adamantyl)-N-propylpropan-1-amine
CID 63420045
1-(1-adamantyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63420136
2-(1-adamantyl)-4-methyl-N-propylpentan-3-amine
CID 79299064
2-[2-(1-adamantyl)-2-(propylamino)ethyl]sulfanylethanol
CID 64614192
N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine
CID 63469177
1-(1-adamantyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79189871
N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cyclopentan-1-amine
CID 79069925
[1-(1-adamantyl)-4-methylpentyl]hydrazine
CID 105214382
1-(1-adamantyl)-3-ethyl-N-methylpentan-1-amine
CID 82923509
N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cycloheptan-1-amine
CID 79081393
2-(1-adamantyl)-4-methylpentan-1-ol
CID 158610726
N-[1-(1-adamantyl)ethyl]-3-ethylsulfonylpropan-1-amine
CID 65093829

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine (CID 63420224) is 1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine is CCCNC(CC(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine?
The InChIKey is VAFKBGIRQDHFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-4-5-19-17(6-13(2)3)18-10-14-7-15(11-18)9-16(8-14)12-18/h13-17,19H,4-12H2,1-3H3.
What are the key properties of 1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine?
1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine has a molecular weight of 263.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 63420224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).