2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine

C9H17ClN2 — CID 106025385

IUPAC2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCCN1C
InChIInChI=1S/C9H17ClN2/c1-8(10)6-11-7-9-4-3-5-12(9)2/h9,11H,1,3-7H2,2H3
InChIKeyQJYOXINKFNXQFU-UHFFFAOYSA-N
MW188.70 g/mol
LogP1.42
Rot. Bonds4

About 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine

2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine (PubChem CID 106025385) has the molecular formula C9H17ClN2 and a molecular weight of 188.70 g/mol. Its IUPAC name is 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
PubChem CID106025385
Molecular FormulaC9H17ClN2
Molecular Weight188.70 g/mol
Exact Mass188.11
IUPAC Name2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine
SMILESC=C(Cl)CNCC1CCCN1C
InChIInChI=1S/C9H17ClN2/c1-8(10)6-11-7-9-4-3-5-12(9)2/h9,11H,1,3-7H2,2H3
InChIKeyQJYOXINKFNXQFU-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.70
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 131228052
2-[(1-methylpyrrolidin-2-yl)methylamino]-N-(oxan-4-yl)acetamide
CID 106025288
N-(2,6-dichlorophenyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025192
1-[(1-methylpyrrolidin-2-yl)methylamino]butan-2-ol
CID 106025279
3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
CID 106025507
N-(3-methoxypropyl)-2-[(1-methylpyrrolidin-2-yl)methylamino]acetamide
CID 106025675
(E)-N-[(1-methylpyrrolidin-2-yl)methyl]but-2-en-1-amine
CID 106025065
3-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 106019321
3-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 106120803
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
2,6-dimethyl-4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 113227167

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine?
The IUPAC name of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine (CID 106025385) is 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine is C=C(Cl)CNCC1CCCN1C.
What is the InChIKey of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine?
The InChIKey is QJYOXINKFNXQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2/c1-8(10)6-11-7-9-4-3-5-12(9)2/h9,11H,1,3-7H2,2H3.
What are the key properties of 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine?
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine has a molecular weight of 188.70 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 106025385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).