N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine

C18H33N3 — CID 81254476

IUPACN-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCCC(CC)N(CC(C)C)c1ccncc1CNC(C)C
InChIInChI=1S/C18H33N3/c1-7-17(8-2)21(13-14(3)4)18-9-10-19-11-16(18)12-20-15(5)6/h9-11,14-15,17,20H,7-8,12-13H2,1-6H3
InChIKeyRQBFSEOUWGTFIZ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.23
Rot. Bonds9

About N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine

N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81254476) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81254476
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCCC(CC)N(CC(C)C)c1ccncc1CNC(C)C
InChIInChI=1S/C18H33N3/c1-7-17(8-2)21(13-14(3)4)18-9-10-19-11-16(18)12-20-15(5)6/h9-11,14-15,17,20H,7-8,12-13H2,1-6H3
InChIKeyRQBFSEOUWGTFIZ-UHFFFAOYSA-N
XLogP4.23
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine
CID 105074176
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
3-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
CID 81246316
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
N,N-dibutyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105072837
N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249525
2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191478
N-ethyl-4-[(propan-2-ylamino)methyl]-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 105074234
N-(cyclopropylmethyl)-4-[(propan-2-ylamino)methyl]-N-propylpyridin-3-amine
CID 105073290
N-[(4-propan-2-yloxy-3-pyridinyl)methyl]propan-2-amine
CID 81254870
4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79484228

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81254476) is N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine is CCC(CC)N(CC(C)C)c1ccncc1CNC(C)C.
What is the InChIKey of N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is RQBFSEOUWGTFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-7-17(8-2)21(13-14(3)4)18-9-10-19-11-16(18)12-20-15(5)6/h9-11,14-15,17,20H,7-8,12-13H2,1-6H3.
What are the key properties of N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 291.48 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-pentan-3-yl-3-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81254476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).