N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine

C17H29N3 — CID 63165115

IUPACN,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine
SMILESCc1cc(N2CCC(N(C)C)C2)ccc1CNC(C)C
InChIInChI=1S/C17H29N3/c1-13(2)18-11-15-6-7-16(10-14(15)3)20-9-8-17(12-20)19(4)5/h6-7,10,13,17-18H,8-9,11-12H2,1-5H3
InChIKeyYWTWVQDTJHWYRB-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.63
Rot. Bonds5

About N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine

N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine (PubChem CID 63165115) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine
PubChem CID63165115
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine
SMILESCc1cc(N2CCC(N(C)C)C2)ccc1CNC(C)C
InChIInChI=1S/C17H29N3/c1-13(2)18-11-15-6-7-16(10-14(15)3)20-9-8-17(12-20)19(4)5/h6-7,10,13,17-18H,8-9,11-12H2,1-5H3
InChIKeyYWTWVQDTJHWYRB-UHFFFAOYSA-N
XLogP2.63
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine?
The IUPAC name of N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine (CID 63165115) is N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine is Cc1cc(N2CCC(N(C)C)C2)ccc1CNC(C)C.
What is the InChIKey of N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine?
The InChIKey is YWTWVQDTJHWYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-13(2)18-11-15-6-7-16(10-14(15)3)20-9-8-17(12-20)19(4)5/h6-7,10,13,17-18H,8-9,11-12H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine?
N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine has a molecular weight of 275.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine is sourced from PubChem (CID 63165115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).