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

C17H30N4 — CID 81253767

IUPACN,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccncc2CNC(C)C)C1
InChIInChI=1S/C17H30N4/c1-5-20(6-2)16-8-10-21(13-16)17-7-9-18-11-15(17)12-19-14(3)4/h7,9,11,14,16,19H,5-6,8,10,12-13H2,1-4H3
InChIKeyYXCNXORKFRWMFJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.50
Rot. Bonds7

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

N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine (PubChem CID 81253767) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine
PubChem CID81253767
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine
SMILESCCN(CC)C1CCN(c2ccncc2CNC(C)C)C1
InChIInChI=1S/C17H30N4/c1-5-20(6-2)16-8-10-21(13-16)17-7-9-18-11-15(17)12-19-14(3)4/h7,9,11,14,16,19H,5-6,8,10,12-13H2,1-4H3
InChIKeyYXCNXORKFRWMFJ-UHFFFAOYSA-N
XLogP2.50
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine (CID 81253767) is N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine is CCN(CC)C1CCN(c2ccncc2CNC(C)C)C1.
What is the InChIKey of N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine?
The InChIKey is YXCNXORKFRWMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-20(6-2)16-8-10-21(13-16)17-7-9-18-11-15(17)12-19-14(3)4/h7,9,11,14,16,19H,5-6,8,10,12-13H2,1-4H3.
What are the key properties of N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine?
N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine has a molecular weight of 290.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[3-[(propan-2-ylamino)methyl]-4-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 81253767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).