N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine

C17H30ClN3 — CID 114925296

IUPACN,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCCN(CCCC)c1cc(CNCCC)c(Cl)cn1
InChIInChI=1S/C17H30ClN3/c1-4-7-10-21(11-8-5-2)17-12-15(13-19-9-6-3)16(18)14-20-17/h12,14,19H,4-11,13H2,1-3H3
InChIKeyIEKYLRIOEUKHAS-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.64
Rot. Bonds11

About N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine

N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine (PubChem CID 114925296) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
PubChem CID114925296
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC NameN,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine
SMILESCCCCN(CCCC)c1cc(CNCCC)c(Cl)cn1
InChIInChI=1S/C17H30ClN3/c1-4-7-10-21(11-8-5-2)17-12-15(13-19-9-6-3)16(18)14-20-17/h12,14,19H,4-11,13H2,1-3H3
InChIKeyIEKYLRIOEUKHAS-UHFFFAOYSA-N
XLogP4.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-ethyl-N-(2-methylpropyl)-4-(propylaminomethyl)pyridin-2-amine
CID 114925412
5-chloro-4-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 114925483
5-chloro-N-(cyclobutylmethyl)-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926307
5-chloro-N-cyclopropyl-N-prop-2-enyl-4-(propylaminomethyl)pyridin-2-amine
CID 114926916
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114925898
5-chloro-N-(cyclopropylmethyl)-4-(ethylaminomethyl)-N-propylpyridin-2-amine
CID 114925867
N-butyl-N-ethyl-5-(propylaminomethyl)pyrazin-2-amine
CID 107378913
N-[[2-(2-butoxyethoxy)-5-chloro-4-pyridinyl]methyl]propan-1-amine
CID 114927751
5-chloro-4-(ethylaminomethyl)-N-methyl-N-propan-2-ylpyridin-2-amine
CID 114925130
N-[(5-chloro-2-propan-2-yloxy-4-pyridinyl)methyl]propan-1-amine
CID 114927711
5-chloro-N-ethyl-N-(2-methylpropyl)-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 114925419
5-chloro-N-ethyl-4-(ethylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 114926894

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine?
The IUPAC name of N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine (CID 114925296) is N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine.
What is the SMILES notation for N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine?
The canonical SMILES for N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine is CCCCN(CCCC)c1cc(CNCCC)c(Cl)cn1.
What is the InChIKey of N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine?
The InChIKey is IEKYLRIOEUKHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-4-7-10-21(11-8-5-2)17-12-15(13-19-9-6-3)16(18)14-20-17/h12,14,19H,4-11,13H2,1-3H3.
What are the key properties of N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine?
N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine has a molecular weight of 311.90 g/mol, XLogP of 4.64, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-5-chloro-4-(propylaminomethyl)pyridin-2-amine is sourced from PubChem (CID 114925296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).