1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine

C14H22N2 — CID 71020469

IUPAC1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine
SMILESNC1([C@@H]2CCN(CC3C=CC=CC3)C2)CC1
InChIInChI=1S/C14H22N2/c15-14(7-8-14)13-6-9-16(11-13)10-12-4-2-1-3-5-12/h1-4,12-13H,5-11,15H2/t12?,13-/m1/s1
InChIKeyHIQRAWRBTHGUFJ-ZGTCLIOFSA-N
MW218.34 g/mol
LogP1.93
Rot. Bonds3

About 1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine

1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine (PubChem CID 71020469) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine
PubChem CID71020469
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine
SMILESNC1([C@@H]2CCN(CC3C=CC=CC3)C2)CC1
InChIInChI=1S/C14H22N2/c15-14(7-8-14)13-6-9-16(11-13)10-12-4-2-1-3-5-12/h1-4,12-13H,5-11,15H2/t12?,13-/m1/s1
InChIKeyHIQRAWRBTHGUFJ-ZGTCLIOFSA-N
XLogP1.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine?
The IUPAC name of 1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine (CID 71020469) is 1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine is NC1([C@@H]2CCN(CC3C=CC=CC3)C2)CC1.
What is the InChIKey of 1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine?
The InChIKey is HIQRAWRBTHGUFJ-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H22N2/c15-14(7-8-14)13-6-9-16(11-13)10-12-4-2-1-3-5-12/h1-4,12-13H,5-11,15H2/t12?,13-/m1/s1.
What are the key properties of 1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine?
1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)pyrrolidin-3-yl]cyclopropan-1-amine is sourced from PubChem (CID 71020469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).