(Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine

C15H30N2O — CID 176965613

IUPAC(Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine
SMILESCCCCN(CC/C=C\COC)C[C@@H]1CCCN1
InChIInChI=1S/C15H30N2O/c1-3-4-11-17(12-6-5-7-13-18-2)14-15-9-8-10-16-15/h5,7,15-16H,3-4,6,8-14H2,1-2H3/b7-5-/t15-/m0/s1
InChIKeyDYCCXIPCIVVOSR-PKYBCLHXSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds10

About (Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine

(Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine (PubChem CID 176965613) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is (Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine
PubChem CID176965613
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name(Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine
SMILESCCCCN(CC/C=C\COC)C[C@@H]1CCCN1
InChIInChI=1S/C15H30N2O/c1-3-4-11-17(12-6-5-7-13-18-2)14-15-9-8-10-16-15/h5,7,15-16H,3-4,6,8-14H2,1-2H3/b7-5-/t15-/m0/s1
InChIKeyDYCCXIPCIVVOSR-PKYBCLHXSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
N-[(E)-but-2-enyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616935
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106616646
N-(2-tert-butylsulfanylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 114271377
N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616758
N-[(2-methoxy-3-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616975
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 28598118

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine?
The IUPAC name of (Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine (CID 176965613) is (Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine?
The canonical SMILES for (Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine is CCCCN(CC/C=C\COC)C[C@@H]1CCCN1.
What is the InChIKey of (Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine?
The InChIKey is DYCCXIPCIVVOSR-PKYBCLHXSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-4-11-17(12-6-5-7-13-18-2)14-15-9-8-10-16-15/h5,7,15-16H,3-4,6,8-14H2,1-2H3/b7-5-/t15-/m0/s1.
What are the key properties of (Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine?
(Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-5-methoxy-N-[[(2S)-pyrrolidin-2-yl]methyl]pent-3-en-1-amine is sourced from PubChem (CID 176965613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).