N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine

C17H29N3 — CID 80636161

IUPACN-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(CC1CC1)c1ncc(CNCC(C)C)cc1C
InChIInChI=1S/C17H29N3/c1-5-20(12-15-6-7-15)17-14(4)8-16(11-19-17)10-18-9-13(2)3/h8,11,13,15,18H,5-7,9-10,12H2,1-4H3
InChIKeyMPFJWNZDPJMRJJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.37
Rot. Bonds8

About N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine

N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine (PubChem CID 80636161) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
PubChem CID80636161
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
SMILESCCN(CC1CC1)c1ncc(CNCC(C)C)cc1C
InChIInChI=1S/C17H29N3/c1-5-20(12-15-6-7-15)17-14(4)8-16(11-19-17)10-18-9-13(2)3/h8,11,13,15,18H,5-7,9-10,12H2,1-4H3
InChIKeyMPFJWNZDPJMRJJ-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80636301
N-(cyclobutylmethyl)-N-ethyl-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 107399895
N,N-bis(cyclopropylmethyl)-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 80636371
N-(cyclopropylmethyl)-N-ethyl-4,6-dimethyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 63941047
N-(cyclopropylmethyl)-N-ethyl-2,6-difluoro-4-[(2-methylpropylamino)methyl]aniline
CID 63954399
N-butan-2-yl-N,3-dimethyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 80629582
N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-3-methyl-N-propylpyridin-2-amine
CID 80632816
3-methyl-N-(2-methylpropyl)-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyridin-2-amine
CID 80631917
N,3-dimethyl-5-[(2-methylpropylamino)methyl]-N-(thiolan-3-yl)pyridin-2-amine
CID 80630168
N-(cyclopropylmethyl)-N-ethyl-2-[(2-methylpropylamino)methyl]pyridin-4-amine
CID 63940070
5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-3-methyl-N-propan-2-ylpyridin-2-amine
CID 80630227
3-chloro-5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63941049

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine (CID 80636161) is N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine is CCN(CC1CC1)c1ncc(CNCC(C)C)cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
The InChIKey is MPFJWNZDPJMRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-20(12-15-6-7-15)17-14(4)8-16(11-19-17)10-18-9-13(2)3/h8,11,13,15,18H,5-7,9-10,12H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine?
N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-3-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine is sourced from PubChem (CID 80636161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).