N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine

C16H29N3O — CID 107191174

IUPACN-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(OC)cnn1C)C1CCCC1(C)C
InChIInChI=1S/C16H29N3O/c1-6-10-17-14(12-8-7-9-16(12,2)3)15-13(20-5)11-18-19(15)4/h11-12,14,17H,6-10H2,1-5H3
InChIKeyBOUPYSAIQRWRPU-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.30
Rot. Bonds6

About N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine

N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine (PubChem CID 107191174) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
PubChem CID107191174
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1c(OC)cnn1C)C1CCCC1(C)C
InChIInChI=1S/C16H29N3O/c1-6-10-17-14(12-8-7-9-16(12,2)3)15-13(20-5)11-18-19(15)4/h11-12,14,17H,6-10H2,1-5H3
InChIKeyBOUPYSAIQRWRPU-UHFFFAOYSA-N
XLogP3.30
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,1-dioxothian-2-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105047228
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 107177570
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107190949
N-[2,2-dimethoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 114657568
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 107191239
1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107191465
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 114651756
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
[(4,4-dimethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]hydrazine
CID 105231780
N-[(2,2-dimethylcyclohexyl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 107188801
1-(4-methoxy-1-methylpyrazol-5-yl)-N,2-dipropylpentan-1-amine
CID 105046984
N-[2-(1,3-dioxolan-2-yl)-1-(4-methoxy-1-methylpyrazol-5-yl)ethyl]propan-1-amine
CID 103547224

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine (CID 107191174) is N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine is CCCNC(c1c(OC)cnn1C)C1CCCC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is BOUPYSAIQRWRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-6-10-17-14(12-8-7-9-16(12,2)3)15-13(20-5)11-18-19(15)4/h11-12,14,17H,6-10H2,1-5H3.
What are the key properties of N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine?
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 107191174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).