3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate

C15H32N4O4 — CID 126603830

IUPAC3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
SMILESCC(C)(CC(C)(C)NC(=O)OCCCN)NC(=O)OCCCN
InChIInChI=1S/C15H32N4O4/c1-14(2,18-12(20)22-9-5-7-16)11-15(3,4)19-13(21)23-10-6-8-17/h5-11,16-17H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyKEPWHSIVXDVLQB-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.08
Rot. Bonds10

About 3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate

3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate (PubChem CID 126603830) has the molecular formula C15H32N4O4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate.

Molecular Properties

Compound Name3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
PubChem CID126603830
Molecular FormulaC15H32N4O4
Molecular Weight332.45 g/mol
Exact Mass332.24
IUPAC Name3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
SMILESCC(C)(CC(C)(C)NC(=O)OCCCN)NC(=O)OCCCN
InChIInChI=1S/C15H32N4O4/c1-14(2,18-12(20)22-9-5-7-16)11-15(3,4)19-13(21)23-10-6-8-17/h5-11,16-17H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyKEPWHSIVXDVLQB-UHFFFAOYSA-N
XLogP1.08
TPSA128.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-(methoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate
CID 88863473
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
ethyl N-(1-amino-2-methylpropan-2-yl)carbamate
CID 63194135
2-[2-(3-aminopropoxy)ethoxy]propyl N-tert-butylcarbamate
CID 175303197
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
N-(5-amino-2-methylpentan-2-yl)acetamide
CID 131222896
3-(propan-2-ylamino)propyl N-tert-butylcarbamate
CID 79337530
3-aminopropyl 2-methylpropanoate
CID 59078098
3-[[2-(2-aminoethoxy)acetyl]amino]-3-methylbutanoic acid
CID 79478702
3-aminopropyl 2,2-dimethylhexanoate
CID 130456484
tert-butyl N-(1-amino-2-methylpropan-2-yl)carbamate;hydrochloride
CID 45072479
3-aminopropyl propanoate;hydrochloride
CID 91621397

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
The IUPAC name of 3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate (CID 126603830) is 3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate.
What is the SMILES notation for 3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
The canonical SMILES for 3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate is CC(C)(CC(C)(C)NC(=O)OCCCN)NC(=O)OCCCN.
What is the InChIKey of 3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
The InChIKey is KEPWHSIVXDVLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O4/c1-14(2,18-12(20)22-9-5-7-16)11-15(3,4)19-13(21)23-10-6-8-17/h5-11,16-17H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of 3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate?
3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate has a molecular weight of 332.45 g/mol, XLogP of 1.08, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl N-[4-(3-aminopropoxycarbonylamino)-2,4-dimethylpentan-2-yl]carbamate is sourced from PubChem (CID 126603830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).