[1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea

C15H29N3O — CID 129431224

IUPAC[1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea
SMILESCCC[C@@H]1[C@H](C(C)=NNC(N)=O)C1(CCC)CCC
InChIInChI=1S/C15H29N3O/c1-5-8-12-13(11(4)17-18-14(16)19)15(12,9-6-2)10-7-3/h12-13H,5-10H2,1-4H3,(H3,16,18,19)/t12-,13+/m1/s1
InChIKeyYUXVMBQTOSZKNO-OLZOCXBDSA-N
MW267.42 g/mol
LogP3.66
Rot. Bonds8

About [1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea

[1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea (PubChem CID 129431224) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is [1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea.

Molecular Properties

Compound Name[1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea
PubChem CID129431224
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name[1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea
SMILESCCC[C@@H]1[C@H](C(C)=NNC(N)=O)C1(CCC)CCC
InChIInChI=1S/C15H29N3O/c1-5-8-12-13(11(4)17-18-14(16)19)15(12,9-6-2)10-7-3/h12-13H,5-10H2,1-4H3,(H3,16,18,19)/t12-,13+/m1/s1
InChIKeyYUXVMBQTOSZKNO-OLZOCXBDSA-N
XLogP3.66
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea?
The IUPAC name of [1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea (CID 129431224) is [1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea.
What is the SMILES notation for [1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea?
The canonical SMILES for [1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea is CCC[C@@H]1[C@H](C(C)=NNC(N)=O)C1(CCC)CCC.
What is the InChIKey of [1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea?
The InChIKey is YUXVMBQTOSZKNO-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-8-12-13(11(4)17-18-14(16)19)15(12,9-6-2)10-7-3/h12-13H,5-10H2,1-4H3,(H3,16,18,19)/t12-,13+/m1/s1.
What are the key properties of [1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea?
[1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea has a molecular weight of 267.42 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1S,3R)-2,2,3-tripropylcyclopropyl]ethylideneamino]urea is sourced from PubChem (CID 129431224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).