N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline

C14H18N2 — CID 63952076

IUPACN-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline
SMILESC#CCNc1cccc(CN2CCCC2)c1
InChIInChI=1S/C14H18N2/c1-2-8-15-14-7-5-6-13(11-14)12-16-9-3-4-10-16/h1,5-7,11,15H,3-4,8-10,12H2
InChIKeyNNPYEFNPSSUCNS-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.33
Rot. Bonds4

About N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline

N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 63952076) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline
PubChem CID63952076
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline
SMILESC#CCNc1cccc(CN2CCCC2)c1
InChIInChI=1S/C14H18N2/c1-2-8-15-14-7-5-6-13(11-14)12-16-9-3-4-10-16/h1,5-7,11,15H,3-4,8-10,12H2
InChIKeyNNPYEFNPSSUCNS-UHFFFAOYSA-N
XLogP2.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-(piperidin-1-ylmethyl)aniline
CID 59121183
N-[3-(pyrrolidin-1-ylmethyl)phenyl]propane-2-sulfonamide
CID 64590840
N-(pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691841
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol
CID 168593426
1-chloro-3-[3-(piperidin-1-ylmethyl)anilino]propan-2-ol
CID 168636923
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115743149
4-[[3-(piperidin-1-ylmethyl)anilino]methyl]benzoic acid
CID 122029517
N-[(5-chlorothiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 43435775
N-[(5-bromothiophen-2-yl)methyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 43691850
methyl 2-[3-[[3-(piperidin-1-ylmethyl)anilino]methyl]phenyl]acetate
CID 91339483
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428

Frequently Asked Questions

What is the IUPAC name of N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline (CID 63952076) is N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline is C#CCNc1cccc(CN2CCCC2)c1.
What is the InChIKey of N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is NNPYEFNPSSUCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-8-15-14-7-5-6-13(11-14)12-16-9-3-4-10-16/h1,5-7,11,15H,3-4,8-10,12H2.
What are the key properties of N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline?
N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 214.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-ynyl-3-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 63952076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).