N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine

C16H27N3O — CID 81247407

IUPACN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cnccc1N(C)CCOCC1CC1
InChIInChI=1S/C16H27N3O/c1-13(2)18-11-15-10-17-7-6-16(15)19(3)8-9-20-12-14-4-5-14/h6-7,10,13-14,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyIHMCJTZHIAQQEY-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds9

About N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine

N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine (PubChem CID 81247407) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
PubChem CID81247407
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
SMILESCC(C)NCc1cnccc1N(C)CCOCC1CC1
InChIInChI=1S/C16H27N3O/c1-13(2)18-11-15-10-17-7-6-16(15)19(3)8-9-20-12-14-4-5-14/h6-7,10,13-14,18H,4-5,8-9,11-12H2,1-3H3
InChIKeyIHMCJTZHIAQQEY-UHFFFAOYSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
N-cyclopentyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248504
8-N-[2-(cyclopropylmethoxy)ethyl]-8-N-methylisoquinoline-5,8-diamine
CID 103138752
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)pyridin-4-amine
CID 81247682
N-(cyclohexylmethyl)-3-(ethylaminomethyl)-N-methylpyridin-4-amine
CID 81248305
N-[(2-bromophenyl)methyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249514
N-(cyclopropylmethyl)-4-[(propan-2-ylamino)methyl]-N-propylpyridin-3-amine
CID 105073290
N-cyclobutyl-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105074523
N-(4-methoxyphenyl)-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81249525
N-methyl-N-(2-propan-2-yloxyethyl)-3-(propylaminomethyl)pyridin-4-amine
CID 81247408
3-[(cyclopropylmethylamino)methyl]-N,N-dimethylpyridin-4-amine
CID 104624549
N'-[3-[(cyclopropylamino)methyl]-4-pyridinyl]-N,N,N'-trimethylethane-1,2-diamine
CID 81248054

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine (CID 81247407) is N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine is CC(C)NCc1cnccc1N(C)CCOCC1CC1.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
The InChIKey is IHMCJTZHIAQQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)18-11-15-10-17-7-6-16(15)19(3)8-9-20-12-14-4-5-14/h6-7,10,13-14,18H,4-5,8-9,11-12H2,1-3H3.
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine?
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine is sourced from PubChem (CID 81247407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).