1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine

C18H29N — CID 107004361

IUPAC1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1ccccc1)C1CC1(C)C
InChIInChI=1S/C18H29N/c1-4-13-19-17(16-14-18(16,2)3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16-17,19H,4,8,11-14H2,1-3H3
InChIKeyNDHDXMLYBHFUQU-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.42
Rot. Bonds8

About 1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine

1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine (PubChem CID 107004361) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine
PubChem CID107004361
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine
SMILESCCCNC(CCCc1ccccc1)C1CC1(C)C
InChIInChI=1S/C18H29N/c1-4-13-19-17(16-14-18(16,2)3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16-17,19H,4,8,11-14H2,1-3H3
InChIKeyNDHDXMLYBHFUQU-UHFFFAOYSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylcyclohexyl)-4-phenyl-N-propylbutan-1-amine
CID 63415913
1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
CID 107004336
1-(2,2-dimethylcyclohexyl)-N-ethyl-4-phenylbutan-1-amine
CID 107188459
1-(2-fluorophenyl)-4-phenyl-N-propylbutan-1-amine
CID 63417879
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
6-phenyl-N-propylhexan-2-amine
CID 61485022
3-cyclopropyl-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004602
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2,2-dimethylcyclopropyl)-N-propylpropan-1-amine
CID 107004507
1-(7-bicyclo[4.1.0]heptanyl)-3-phenyl-N-propylpropan-1-amine
CID 115793737
1-(2-methylthiolan-2-yl)-4-phenyl-N-propylbutan-1-amine
CID 105139897
5-phenyl-N-propyl-1-(thian-4-yl)pentan-2-amine
CID 105139780
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine (CID 107004361) is 1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine is CCCNC(CCCc1ccccc1)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine?
The InChIKey is NDHDXMLYBHFUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-13-19-17(16-14-18(16,2)3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,16-17,19H,4,8,11-14H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine?
1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-4-phenyl-N-propylbutan-1-amine is sourced from PubChem (CID 107004361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).