[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine

C17H34N2 — CID 112703650

IUPAC[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34N2/c1-13-9-15(10-18)12-19(13)11-14-5-7-16(8-6-14)17(2,3)4/h13-16H,5-12,18H2,1-4H3
InChIKeyVTXFSNGSRWRDCW-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.51
Rot. Bonds3

About [1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine

[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 112703650) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID112703650
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34N2/c1-13-9-15(10-18)12-19(13)11-14-5-7-16(8-6-14)17(2,3)4/h13-16H,5-12,18H2,1-4H3
InChIKeyVTXFSNGSRWRDCW-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylcyclohexyl)methanamine;hydrochloride
CID 12568254
[1-[(4-tert-butylcyclohexyl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 104575650
2-tert-butyl-5-[(4-tert-butylcyclohexyl)methyl]-2,5-diazabicyclo[2.2.1]heptane
CID 176841596
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]ethanamine
CID 130892102
[5-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 115486200
(4-tert-butylcycloheptyl)methanamine
CID 65089670
[6-methyl-1-(oxan-4-ylmethyl)piperidin-3-yl]methanamine
CID 62387329
1-[(4-tert-butylcyclohexyl)methyl]azetidin-3-amine
CID 104575657
(5-methyl-1-propylpyrrolidin-3-yl)methanamine
CID 115486103
[1-(2-ethylsulfonylethyl)-5-methylpyrrolidin-3-yl]methanamine
CID 115486246
3-(cyclopropylmethyl)-4-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 119054652
[1-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486092

Frequently Asked Questions

What is the IUPAC name of [1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine (CID 112703650) is [1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine is CC1CC(CN)CN1CC1CCC(C(C)(C)C)CC1.
What is the InChIKey of [1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is VTXFSNGSRWRDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13-9-15(10-18)12-19(13)11-14-5-7-16(8-6-14)17(2,3)4/h13-16H,5-12,18H2,1-4H3.
What are the key properties of [1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine?
[1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-tert-butylcyclohexyl)methyl]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 112703650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).