N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine

C15H24N4O2 — CID 133491630

IUPACN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine
SMILESCc1nc(NCC2(CN(C)C)CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-12-13(19(20)21)6-7-14(17-12)16-10-15(11-18(2)3)8-4-5-9-15/h6-7H,4-5,8-11H2,1-3H3,(H,16,17)
InChIKeyCLKKSUSCQUWDQV-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.83
Rot. Bonds6

About N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine

N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine (PubChem CID 133491630) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine
PubChem CID133491630
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine
SMILESCc1nc(NCC2(CN(C)C)CCCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-12-13(19(20)21)6-7-14(17-12)16-10-15(11-18(2)3)8-4-5-9-15/h6-7H,4-5,8-11H2,1-3H3,(H,16,17)
InChIKeyCLKKSUSCQUWDQV-UHFFFAOYSA-N
XLogP2.83
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
CID 80710451
[3-[[(6-methyl-5-nitro-2-pyridinyl)amino]methyl]oxetan-3-yl]methanol
CID 133399192
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2-nitroaniline
CID 133491716
6-methyl-N-(1-methylcyclopentyl)-5-nitropyridin-2-amine
CID 80711618
[3-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-4-nitrophenyl]methanol
CID 133491614
6-methyl-5-nitro-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]pyridin-2-amine
CID 84588427
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970
1,1-dimethyl-3-[2-[(6-methyl-5-nitro-2-pyridinyl)amino]ethyl]urea
CID 83113239
N,N-dimethyl-N'-(6-methyl-5-nitro-2-pyridinyl)-1-phenylethane-1,2-diamine
CID 133361606
2-[1-[[(6-amino-5-nitro-2-pyridinyl)amino]methyl]cyclobutyl]acetic acid
CID 81162036
N-(2,2-dicyclopropylethyl)-6-methyl-5-nitropyridin-2-amine
CID 80712219
4-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-N-methyl-3-nitrobenzamide
CID 133491719

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine (CID 133491630) is N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine is Cc1nc(NCC2(CN(C)C)CCCC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine?
The InChIKey is CLKKSUSCQUWDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-13(19(20)21)6-7-14(17-12)16-10-15(11-18(2)3)8-4-5-9-15/h6-7H,4-5,8-11H2,1-3H3,(H,16,17).
What are the key properties of N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine?
N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-6-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133491630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).