2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine

C17H34N2 — CID 106663562

IUPAC2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1N(CC1CCCNC1)C(C)C
InChIInChI=1S/C17H34N2/c1-13(2)19(12-15-7-6-8-18-11-15)16-10-17(4,5)9-14(16)3/h13-16,18H,6-12H2,1-5H3
InChIKeyQYHZIJOETXZVEX-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds4

About 2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine

2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine (PubChem CID 106663562) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
PubChem CID106663562
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1N(CC1CCCNC1)C(C)C
InChIInChI=1S/C17H34N2/c1-13(2)19(12-15-7-6-8-18-11-15)16-10-17(4,5)9-14(16)3/h13-16,18H,6-12H2,1-5H3
InChIKeyQYHZIJOETXZVEX-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624180
4,4-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexan-1-amine
CID 106624301
2-methylsulfonyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
CID 106624303
3-ethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine
CID 106624200
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine
CID 106637323
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentane-1-carboxamide
CID 106629148
N-(piperidin-3-ylmethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 106630952
1-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 106828147
N-cyclopropyl-2,5-dimethyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624758
N-cyclopropyl-N-(piperidin-3-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 106624960

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine (CID 106663562) is 2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine is CC1CC(C)(C)CC1N(CC1CCCNC1)C(C)C.
What is the InChIKey of 2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine?
The InChIKey is QYHZIJOETXZVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)19(12-15-7-6-8-18-11-15)16-10-17(4,5)9-14(16)3/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine?
2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 106663562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).